@prefix tax_nodes: .
@prefix vcs: .
@prefix xsd: .
@prefix skos: .
@prefix rdfs: .
@prefix list: .
@prefix co: .
@prefix compound: .
@prefix omg_dataset: .
@prefix xkos: .
@prefix dbo: .
@prefix vlcs: .
@prefix csc: .
@prefix cosc: .
@prefix dbp: .
@prefix wise: .
@prefix dct: .
@prefix wk: .
@prefix rdf: .
@prefix cscl: .
@prefix dc: .
csc:WGTYBPLFGIVFAS-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:60966 ;
dbo:casNumber "104422-11-9" , "105468-35-7" , "154636-59-6" , "75-59-2" , "129654-61-1" , "78017-87-5" , "93615-68-0" ;
dbo:formula "C4H13NO" ;
dbo:inchi "InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1" ;
dbo:iupacName "tetramethylazanium hydroxide"@en ;
dbo:pubchem "60966"^^xsd:int ;
dbo:smiles "C[N+](C)(C)C.[OH-]" ;
dbp:inchikey "InChIKey=WGTYBPLFGIVFAS-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tetramethylammoniumhydroxide"@nl .
csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7296 ;
dbo:casNumber "5310-57-6" , "96-37-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "Methylcyclopentane"@en ;
dbo:pubchem "7296"^^xsd:int ;
dbo:smiles "CC1CCCC1" ;
dbp:inchikey "InChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC5a" ;
skos:prefLabel "methylcyclopentaan"@nl .
csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12391 ;
dbo:casNumber "629-62-9" ;
dbo:formula "C15H32" ;
dbo:inchi "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" ;
dbo:iupacName "Pentadecane"@en ;
dbo:pubchem "12391"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=YCOZIPAWZNQLMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC15a" ;
skos:prefLabel "n-pentadecaan"@nl .
csc:QEFYFXOXNSNQGX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23934 ;
dbo:casNumber "7440-00-8" , "42320-27-4" , "110123-51-8" ;
dbo:formula "Nd" ;
dbo:inchi "InChI=1S/Nd" ;
dbo:iupacName "NEODYMIUM"@en ;
dbo:pubchem "23934"^^xsd:int ;
dbo:smiles "[Nd]" ;
dbp:inchikey "InChIKey=QEFYFXOXNSNQGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nd" ;
skos:prefLabel "neodymium"@nl .
csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40471 ;
dbo:casNumber "52663-63-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40471"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UHCLFIWDCYOTOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB151" ;
skos:prefLabel "2,2',3,5,5',6-hexachloorbifenyl"@nl .
csc:CHEMONTID_0000074
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000074 ;
skos:definition "Compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000074" ;
skos:prefLabel "Pyridazines and derivatives"@en .
csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22833 ;
dbo:casNumber "6358-64-1" ;
dbo:formula "C8H10ClNO2" ;
dbo:inchi "InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3" ;
dbo:iupacName "4-Chloro-2,5-dimethoxyaniline"@en ;
dbo:pubchem "22833"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1N)OC)Cl" ;
dbp:inchikey "InChIKey=YGUFQYGSBVXPMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,5-dimethoxy-4-chlooraniline"@nl .
csc:JJWIOXUMXIOXQN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67526 ;
dbo:casNumber "295-65-8" ;
dbo:formula "C16H32" ;
dbo:inchi "InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2" ;
dbo:iupacName "Cyclohexadecane"@en ;
dbo:pubchem "67526"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCCCCCC1" ;
dbp:inchikey "InChIKey=JJWIOXUMXIOXQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC16a" ;
skos:prefLabel "cyclohexadecaan"@nl .
csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:120675 ;
dbo:casNumber "459-02-9" , "459-01-8" ;
dbo:formula "C9H13ClFN" ;
dbo:inchi "InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H" ;
dbo:iupacName "1-(4-fluorophenyl)propan-2-amine hydrochloride"@en ;
dbo:pubchem "120675"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)F)N.Cl" ;
dbp:inchikey "InChIKey=GKWYMWZWSCKSMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4FamfAe" ;
skos:prefLabel "4-fluoramfetamine"@nl .
csc:ORSUTASIQKBEFU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:20513 ;
dbo:casNumber "4444-68-2" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "N,N-diethylbutan-1-amine"@en ;
dbo:pubchem "20513"^^xsd:int ;
dbo:smiles "CCCCN(CC)CC" ;
dbp:inchikey "InChIKey=ORSUTASIQKBEFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yC4yAe" ;
skos:prefLabel "diethylbutylamine"@nl .
csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:29575 ;
dbo:casNumber "19408-74-3" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H" ;
dbo:iupacName "1,2,3,7,8,9-hexachlorooxanthrene"@en ;
dbo:pubchem "29575"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LGIRBUBHIWTVCK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8,9-hexachloordibenzo-p-dioxine"@nl , "1,2,3,7,8,9-hexachloordibenzodioxine"@nl , "1,2,3,7,8,9-hexachloordibenzo-para-dioxine"@nl , "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_19408-74-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD70" ;
skos:prefLabel " 1,2,3,7,8,9-hexachloordibenzodioxine"@nl ;
vcs:vmmParameterId "1250"^^xsd:int .
csc:ZKLPARSLTMPFCP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2678 ;
dbo:casNumber "83881-51-0" ;
dbo:formula "C21H25ClN2O3" ;
dbo:inchi "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)" ;
dbo:iupacName "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid"@en ;
dbo:pubchem "2678"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cetrzne" ;
skos:prefLabel "cetirizine"@nl .
csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6433386 ;
dbo:casNumber "3737-00-6" ;
dbo:formula "C3H4BrCl" ;
dbo:inchi "InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+" ;
dbo:iupacName "(E)-3-bromo-1-chloroprop-1-ene"@en ;
dbo:pubchem "6433386"^^xsd:int ;
dbo:smiles "C(C=CCl)Br" ;
dbp:inchikey "InChIKey=AHUWMUAVZFJTOC-HNQUOIGGSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Br1ClC3e" ;
skos:prefLabel "3-broom-1-chloorpropeen"@nl .
csc:LXQXZNRPTYVCNG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23966 ;
dbo:casNumber "7440-35-9" , "22541-46-4" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am" ;
dbo:iupacName "AMERICIUM"@en ;
dbo:pubchem "23966"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "InChIKey=LXQXZNRPTYVCNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am" ;
skos:prefLabel "americium"@nl .
csc:FSPSELPMWGWDRY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11455 ;
dbo:casNumber "585-74-0" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3" ;
dbo:iupacName "1-(3-methylphenyl)ethanone"@en ;
dbo:pubchem "11455"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C(=O)C" ;
dbp:inchikey "InChIKey=FSPSELPMWGWDRY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yactfnn" ;
skos:prefLabel "3-methylacetofenon"@nl .
csc:GYSSRZJIHXQEHQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21307 ;
dbo:casNumber "5234-68-4" ;
dbo:formula "C12H13NO2S" ;
dbo:inchi "InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" ;
dbo:iupacName "2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE"@en ;
dbo:pubchem "21307"^^xsd:int ;
dbo:smiles "CC1=C(SCCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=GYSSRZJIHXQEHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbOxn" ;
skos:prefLabel "carboxin"@nl .
csc:TVFDJXOCXUVLDH-BJUDXGSMSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6337088 ;
dbo:casNumber "15758-03-9" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1-1" ;
dbo:iupacName "cesium-132"@en ;
dbo:pubchem "6337088"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs132" ;
skos:prefLabel "cesium 132"@nl .
csc:JRJBVWJSTHECJK-LUAWRHEFSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5356787 ;
dbo:casNumber "127-51-5" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9-" ;
dbo:iupacName "(Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one"@en ;
dbo:pubchem "5356787"^^xsd:int ;
dbo:smiles "CC1=CCCC(C1C=C(C)C(=O)C)(C)C" ;
dbp:inchikey "InChIKey=JRJBVWJSTHECJK-LUAWRHEFSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aiC1yionn" ;
skos:prefLabel "alfa-isomethylionon"@nl .
csc:RZXIRSKYBISPGF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:155166 ;
dbo:casNumber "68631-49-2" ;
dbo:formula "C12H4Br6O" ;
dbo:inchi "InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene"@en ;
dbo:pubchem "155166"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "InChIKey=RZXIRSKYBISPGF-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4',5,5'-hexabroomdifenylether"@nl , "2,2',4,4',5,5'-hexabroomdifenylether (bde153)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_68631-49-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE153" ;
skos:prefLabel "bde 153"@nl ;
vcs:vmmParameterId "935"^^xsd:int .
csc:JYYNAJVZFGKDEQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7936 ;
dbo:casNumber "108-47-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2,4-Dimethylpyridine"@en ;
dbo:pubchem "7936"^^xsd:int ;
dbo:smiles "CC1=CC(=NC=C1)C" ;
dbp:inchikey "InChIKey=JYYNAJVZFGKDEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yprdne" ;
skos:prefLabel "2,4-dimethylpyridine"@nl .
csc:CHEMONTID_0004113
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004113 ;
skos:definition "Organic aromatic compounds containing a monocyclic benzene moiety carrying exactly or one more methoxy groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004113" ;
skos:prefLabel "Methoxybenzenes"@en .
csc:XRQKNNNAKHZPSP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37841 ;
dbo:casNumber "37853-61-5" , "108608-62-4" ;
dbo:formula "C17H16Br4O2" ;
dbo:inchi "InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3" ;
dbo:iupacName "1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene"@en ;
dbo:pubchem "37841"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=C(C(=C1)Br)OC)Br)C2=CC(=C(C(=C2)Br)OC)Br" ;
dbp:inchikey "InChIKey=XRQKNNNAKHZPSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBBPADM" ;
skos:prefLabel "tetrabroombifenol dimethyl"@nl .
csc:CHEMONTID_0002279
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002279 ;
skos:definition "Aromatic compounds containing one monocyclic ring system consisting of benzene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WRMNZCZEMHIOCP-UHFFFAOYSA-N , csc:BXEHUCNTIZGSOJ-UHFFFAOYSA-N , csc:WLJVXDMOQOGPHL-UHFFFAOYSA-N , csc:PWATWSYOIIXYMA-UHFFFAOYSA-N , csc:ATROHALUCMTWTB-WYMLVPIESA-N , csc:XXOYNJXVWVNOOJ-UHFFFAOYSA-N , csc:UOHMMEJUHBCKEE-UHFFFAOYSA-N , csc:JFSPBVWPKOEZCB-UHFFFAOYSA-N , csc:CAHQGWAXKLQREW-UHFFFAOYSA-N , csc:XAMUDJHXFNRLCY-UHFFFAOYSA-N , csc:LTEQMZWBSYACLV-UHFFFAOYSA-N , csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N , csc:DSNHSQKRULAAEI-UHFFFAOYSA-N , csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N , csc:XBEADGFTLHRJRB-UHFFFAOYSA-N , csc:OTSYFFDVDLHIKX-UHFFFAOYSA-N , csc:KWKXNDCHNDYVRT-UHFFFAOYSA-N , csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N , csc:ZYHJQFMTTFCBKH-UHFFFAOYSA-N , csc:KUCPUSUXIGWHFB-UHFFFAOYSA-N , csc:IZFZCMFMJKDHJZ-UHFFFAOYSA-N , csc:HJWLCRVIBGQPNF-UHFFFAOYSA-N , csc:LBNXAWYDQUGHGX-UHFFFAOYSA-N , csc:XBRCDWHXULVEFB-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:KVGLBTYUCJYMND-UHFFFAOYSA-N , csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N , csc:BFIMMTCNYPIMRN-UHFFFAOYSA-N , csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N , csc:FCXPVFLEDIQLLO-UHFFFAOYSA-N , csc:YFNCATAIYKQPOO-UHFFFAOYSA-N , csc:NRHFWOJROOQKBK-UHFFFAOYSA-N , csc:CSWIKHNSBZVWNQ-UHFFFAOYSA-N , csc:NOOOMJZHMKSKBF-UHFFFAOYSA-N , csc:PHSUVQBHRAWOQD-UHFFFAOYSA-N , csc:AWZOLILCOUMRDG-UHFFFAOYSA-N , csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N , csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N , csc:WAPNOHKVXSQRPX-UHFFFAOYSA-N , csc:SQNZJJAZBFDUTD-UHFFFAOYSA-N , csc:FCOAHACKGGIURQ-UHFFFAOYSA-N , csc:QGHREAKMXXNCOA-UHFFFAOYSA-N , csc:NPAWGLOPXKCTCV-UHFFFAOYSA-N , csc:RJKCKKDSSSRYCB-UHFFFAOYSA-N , csc:AWMVMTVKBNGEAK-UHFFFAOYSA-N , csc:KVNYFPKFSJIPBJ-UHFFFAOYSA-N , csc:XEMRAKSQROQPBR-UHFFFAOYSA-N , csc:AFZZYIJIWUTJFO-UHFFFAOYSA-N , csc:GMAUQNJOSOMMHI-JXAWBTAJSA-N , csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N , csc:SKDNDVDHYMEGNJ-VURMDHGXSA-N , csc:RRPCXIBGXYGQNC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002279" ;
skos:prefLabel "Benzene and substituted derivatives"@en .
csc:CHEMONTID_0000053
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000053 ;
skos:definition "Organic compounds containing an amino group attached to a quinoline ring system."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000053" ;
skos:prefLabel "Aminoquinolines and derivatives"@en .
csc:ZJMMPUVJZQBMEM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:184908 ;
dbo:casNumber "88963-39-7" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2" ;
dbo:iupacName "2,3,6-trichloroaniline"@en ;
dbo:pubchem "184908"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)N)Cl)Cl" ;
dbp:inchikey "InChIKey=ZJMMPUVJZQBMEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TClAn" ;
skos:prefLabel "2,3,6-trichlooraniline"@nl .
csc:STEPQTYSZVCJPV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:49384 ;
dbo:casNumber "67129-08-2" ;
dbo:formula "C14H16ClN3O" ;
dbo:inchi "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" ;
dbo:iupacName "2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide"@en ;
dbo:pubchem "49384"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl" ;
dbp:inchikey "InChIKey=STEPQTYSZVCJPV-UHFFFAOYSA-N" ;
skos:altLabel "metazachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_67129-08-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mzCl" ;
skos:prefLabel "metazachloor"@nl ;
vcs:vmmParameterId "225"^^xsd:int .
csc:LFNLGNPSGWYGGD-IGMARMGPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104783 ;
dbo:casNumber "86954-34-9" , "13994-20-2" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+0" ;
dbo:iupacName "neptunium-237"@en ;
dbo:pubchem "104783"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "InChIKey=LFNLGNPSGWYGGD-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np237" ;
skos:prefLabel "neptunium 237"@nl .
csc:RPLCPCMSCLEKRS-BPIQYHPVSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40973 ;
dbo:casNumber "54024-22-5" ;
dbo:formula "C22H30O" ;
dbo:inchi "InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "40973"^^xsd:int ;
dbo:smiles "CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34" ;
dbp:inchikey "InChIKey=RPLCPCMSCLEKRS-BPIQYHPVSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desgsl" ;
skos:prefLabel "desogestrel"@nl .
csc:LELOWRISYMNNSU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II Art. 5.20.2.7. 'HCN'"@nl , "VLAR II bijl. 4.4.2 'cyaanwaterstof'"@nl ;
rdfs:seeAlso compound:768 ;
dbo:casNumber "74-90-8" , "341972-31-4" , "191234-22-7" ;
dbo:formula "CHN" ;
dbo:inchi "InChI=1S/CHN/c1-2/h1H" ;
dbo:iupacName "Formonitrile"@en ;
dbo:pubchem "768"^^xsd:int ;
dbo:smiles "C#N" ;
dbp:inchikey "InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_009 ;
skos:altLabel "waterstofcyanide"@nl , "waterstofcyanide (hcn)"@nl ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_74-90-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCN" ;
skos:prefLabel "waterstofcyanide (HCN)"@nl ;
vcs:vmmParameterId "1158"^^xsd:int .
csc:PYZHTHZEHQHHEN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40500 ;
dbo:casNumber "52712-05-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40500"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=PYZHTHZEHQHHEN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB185" ;
skos:prefLabel "2,2',3,4,5,5',6-heptachloorbifenyl"@nl .
csc:PSZYNBSKGUBXEH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6812 ;
dbo:casNumber "68412-23-7" , "25155-19-5" , "85-47-2" , "119020-53-0" , "68153-01-5" ;
dbo:formula "C10H8O3S" ;
dbo:inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)" ;
dbo:iupacName "naphthalene-1-sulfonic acid"@en ;
dbo:pubchem "6812"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O" ;
dbp:inchikey "InChIKey=PSZYNBSKGUBXEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Nafsfzr" ;
skos:prefLabel "1-naftaleensulfonzuur"@nl .
csc:BBJPZPLAZVZTGR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:32921 ;
dbo:casNumber "25366-23-8" ;
dbo:formula "C6H7F3N4OS" ;
dbo:inchi "InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)" ;
dbo:iupacName "1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea"@en ;
dbo:pubchem "32921"^^xsd:int ;
dbo:smiles "CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F" ;
dbp:inchikey "InChIKey=BBJPZPLAZVZTGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004668 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiazfrn" ;
skos:prefLabel "thiazafluron"@nl .
csc:ZMANZCXQSJIPKH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8471 ;
dbo:casNumber "121-44-8" , "168277-99-4" , "144514-14-7" , "172227-74-6" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" ;
dbo:iupacName "N,N-Diethylethanamine"@en ;
dbo:pubchem "8471"^^xsd:int ;
dbo:smiles "CCN(CC)CC" ;
dbp:inchikey "InChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yAe" ;
skos:prefLabel "triethylamine"@nl .
csc:CHEMONTID_0003570
skos:narrower csc:SIGSPDASOTUPFS-KQMXEUTGSA-N , csc:PROQIPRRNZUXQM-ZXXIGWHRSA-N , csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N , csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N , csc:VOXZDWNPVJITMN-SFFUCWETSA-N , csc:GCKFUYQCUCGESZ-KIIRVTSASA-N , csc:VOXZDWNPVJITMN-ZZEXBNFBSA-N , csc:BFPYWIDHMRZLRN-SLHNCBLASA-N , csc:WWYNJERNGUHSAO-XUDSTZEESA-N , csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N .
csc:BPFYOAJNDMUVBL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:60651 ;
dbo:casNumber "115550-35-1" ;
dbo:formula "C17H19FN4O4" ;
dbo:inchi "InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)" ;
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en ;
dbo:pubchem "60651"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F" ;
dbp:inchikey "InChIKey=BPFYOAJNDMUVBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "marbofloxacine"@nl .
csc:WLFDQEVORAMCIM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18290 ;
dbo:casNumber "3060-89-7" ;
dbo:formula "C9H11BrN2O2" ;
dbo:inchi "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Bromophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "18290"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC=C(C=C1)Br)OC" ;
dbp:inchikey "InChIKey=WLFDQEVORAMCIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_3060-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbmrn" ;
skos:prefLabel "metobromuron"@nl ;
vcs:vmmParameterId "801"^^xsd:int .
csc:HXVNBWAKAOHACI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11271 ;
dbo:casNumber "565-80-0" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2,4-Dimethylpentan-3-one"@en ;
dbo:pubchem "11271"^^xsd:int ;
dbo:smiles "CC(C)C(=O)C(C)C" ;
dbp:inchikey "InChIKey=HXVNBWAKAOHACI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC5on" ;
skos:prefLabel "2,4-dimethyl-3-pentanon"@nl .
csc:SJEBAWHUJDUKQK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6772 ;
dbo:casNumber "84-51-5" ;
dbo:formula "C16H12O2" ;
dbo:inchi "InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3" ;
dbo:iupacName "2-ethylanthracene-9,10-dione"@en ;
dbo:pubchem "6772"^^xsd:int ;
dbo:smiles "CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O" ;
dbp:inchikey "InChIKey=SJEBAWHUJDUKQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yatqnn" ;
skos:prefLabel "2-ethyl-anthraquinon"@nl .
csc:OCBHHZMJRVXXQK-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8755 ;
dbo:casNumber "68424-85-1" , "50641-12-8" , "68391-01-5" , "77465-44-2" , "113497-04-4" , "124548-64-7" , "139-08-2" , "51931-10-3" , "16287-71-1" ;
dbo:formula "C23H42ClN" ;
dbo:inchi "InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-tetradecylazanium chloride"@en ;
dbo:pubchem "8755"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=OCBHHZMJRVXXQK-UHFFFAOYSA-M" ;
skos:altLabel "C12-C16-alkylbenzyldimethylammoniumchloride"@nl , "c12-c16-alkylbenzyldimethylammoniumchloride"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12C16akbzDC" , "benzDC1yC14y" ;
skos:prefLabel "benzyldimethyltetradecylammoniumchloride"@nl .
csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6049 ;
dbo:casNumber "10058-42-1" , "30485-87-1" , "13440-78-3" , "94108-75-5" , "32757-10-1" , "161122-33-4" , "20539-27-9" , "30485-88-2" , "60-00-4" , "26627-46-3" , "30485-90-6" ;
dbo:formula "C10H16N2O8" ;
dbo:inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)" ;
dbo:iupacName "2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid"@en ;
dbo:pubchem "6049"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O" ;
dbp:inchikey "InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N" ;
skos:altLabel "ethyleendiaminetetraethaanzuur (EDTA)"@nl , "ethyleendiaminetetra-azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0002966 ;
skos:exactMatch wise:CAS_60-00-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EDTA" ;
skos:prefLabel "ethyleendiaminetetraethaanzuur (edta)"@nl ;
vcs:vmmParameterId "885"^^xsd:int .
csc:CHEMONTID_0003968
skos:narrower csc:UNAHYJYOSSSJHH-UHFFFAOYSA-N , csc:CLMQUEQFVUMDPC-UHFFFAOYSA-N , csc:LXQOQPGNCGEELI-UHFFFAOYSA-N , csc:ITVQAKZNYJEWKS-UHFFFAOYSA-N , csc:QFUSCYRJMXLNRB-UHFFFAOYSA-N , csc:ZSDSQXJSNMTJDA-UHFFFAOYSA-N , csc:SMDHCQAYESWHAE-UHFFFAOYSA-N , csc:UMKANAFDOQQUKE-UHFFFAOYSA-N , csc:SPNQRCTZKIBOAX-UHFFFAOYSA-N , csc:LHRIICYSGQGXSX-UHFFFAOYSA-N , csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N , csc:MNFMIVVPXOGUMX-UHFFFAOYSA-N , csc:MPBZUKLDHPOCLS-UHFFFAOYSA-N .
csc:BRCGUTSVMPKEKH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:424215 ;
dbo:casNumber "7529-52-4" ;
dbo:formula "C12H22Sn" ;
dbo:inchi "InChI=1S/2C6H11.Sn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;" ;
dbo:iupacName "dicyclohexyltin"@en ;
dbo:pubchem "424215"^^xsd:int ;
dbo:smiles "C1CCC(CC1)[Sn]C2CCCCC2" ;
dbp:inchikey "InChIKey=BRCGUTSVMPKEKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001524 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dicyclohexyltin"@nl .
csc:KLJOSQAQZMLLMB-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:115268 ;
dbo:casNumber "6385-62-2" ;
dbo:formula "C12H14Br2N2O" ;
dbo:inchi "InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate"@en ;
dbo:pubchem "115268"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]" ;
dbp:inchikey "InChIKey=KLJOSQAQZMLLMB-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DqDBrH2O" ;
skos:prefLabel "diquatdibromide-monohydraat"@nl .
csc:RYAUSSKQMZRMAI-ALOPSCKCSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93365 ;
dbo:casNumber "67564-91-4" , "76492-89-2" ;
dbo:formula "C20H33NO" ;
dbo:inchi "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" ;
dbo:iupacName "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine"@en ;
dbo:pubchem "93365"^^xsd:int ;
dbo:smiles "CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C" ;
dbp:inchikey "InChIKey=RYAUSSKQMZRMAI-ALOPSCKCSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenppmf" ;
skos:prefLabel "fenpropimorf"@nl .
csc:CHEMONTID_0000032
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000032 ;
skos:definition "Organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IRLYGRLEBKCYPY-UHFFFAOYSA-N , csc:SRSXLGNVWSONIS-UHFFFAOYSA-N , csc:ONMOULMPIIOVTQ-UHFFFAOYSA-N , csc:FEPBITJSIHRMRT-UHFFFAOYSA-N , csc:LTPSRQRIPCVMKQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000032" ;
skos:prefLabel "Benzenesulfonic acids and derivatives"@en .
csc:GHASVSINZRGABV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3385 ;
dbo:casNumber "1004-03-1" , "79108-01-3" , "4921-97-5" , "51-21-8" ;
dbo:formula "C4H3FN2O2" ;
dbo:inchi "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" ;
dbo:iupacName "5-fluoro-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "3385"^^xsd:int ;
dbo:smiles "C1=C(C(=O)NC(=O)N1)F" ;
dbp:inchikey "InChIKey=GHASVSINZRGABV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurcl" ;
skos:prefLabel "fluracil"@nl .
csc:UELITFHSCLAHKR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86412 ;
dbo:casNumber "135158-54-2" ;
dbo:formula "C8H6N2OS2" ;
dbo:inchi "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" ;
dbo:iupacName "S-Methyl 1,2,3-benzothiadiazole-7-carbothioate"@en ;
dbo:pubchem "86412"^^xsd:int ;
dbo:smiles "CSC(=O)C1=C2C(=CC=C1)N=NS2" ;
dbp:inchikey "InChIKey=UELITFHSCLAHKR-UHFFFAOYSA-N" ;
skos:altLabel "acibenzolar-s-methyl"@nl ;
skos:broader csc:CHEMONTID_0002323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acbzlSC1y" ;
skos:prefLabel "acibenzolar-S-methyl"@nl .
csc:KKMLIVYBGSAJPM-UHFFFAOYSA-L
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25506 ;
dbo:casNumber "12071-83-9" ;
dbo:formula "C5H8N2S4Zn" ;
dbo:inchi "InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2" ;
dbo:iupacName "zinc [1-(sulfidocarbothioylamino)propan-2-ylamino]methanedithioate"@en ;
dbo:pubchem "25506"^^xsd:int ;
dbo:smiles "CC(CN=C(S)[S-])N=C(S)[S-].[Zn+2]" ;
dbp:inchikey "InChIKey=KKMLIVYBGSAJPM-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnb" ;
skos:prefLabel "propineb"@nl .
csc:CHEMONTID_0004150
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004150 ;
skos:definition "Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FAOSYNUKPVJLNZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004150" ;
skos:prefLabel "Hydrocarbon derivatives"@en .
csc:CHEMONTID_0002799
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002799 ;
skos:definition "Organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YWHLKYXPLRWGSE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002799" ;
skos:prefLabel "Organic trisulfides"@en .
csc:WMLPCIHUFDKWJU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92420 ;
dbo:casNumber "94593-91-6" ;
dbo:formula "C15H19N5O7S" ;
dbo:inchi "InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)" ;
dbo:iupacName "3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea"@en ;
dbo:pubchem "92420"^^xsd:int ;
dbo:smiles "COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC" ;
dbp:inchikey "InChIKey=WMLPCIHUFDKWJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cinsfrn" ;
skos:prefLabel "cinosulfuron"@nl .
csc:CHEMONTID_0000090
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000090 ;
skos:definition "Compounds containing a pyrrole ring, which is a five-member aromatic heterocycle with one nitrogen atom and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000090" ;
skos:prefLabel "Pyrroles"@en .
csc:ONXPZLFXDMAPRO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16318 ;
dbo:casNumber "2051-24-3" ;
dbo:formula "C12Cl10" ;
dbo:inchi "InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene"@en ;
dbo:pubchem "16318"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ONXPZLFXDMAPRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decachloorbifenyl"@nl .
csc:WAKCWJNDXBPEBP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21205 ;
dbo:casNumber "5129-60-2" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3" ;
dbo:iupacName "Methyl 14-methylpentadecanoate"@en ;
dbo:pubchem "21205"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=WAKCWJNDXBPEBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y14C1yC15a" ;
skos:prefLabel "methyl 14-methylpentadecanoaat"@nl .
csc:TVPFLPJBESCUKI-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31396 ;
dbo:casNumber "81990-01-4" , "128-03-0" ;
dbo:formula "C3H6KNS2" ;
dbo:inchi "InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1" ;
dbo:iupacName "potassium dimethylaminomethanedithioate"@en ;
dbo:pubchem "31396"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].[K+]" ;
dbp:inchikey "InChIKey=TVPFLPJBESCUKI-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KDC1yDtocbmt" ;
skos:prefLabel "kaliumdimethyldithiocarbamaat"@nl .
csc:ATJFFYVFTNAWJD-LZFNBGRKSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336618 ;
dbo:casNumber "14683-08-0" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn/i1+6" ;
dbo:iupacName "tin-125"@en ;
dbo:pubchem "6336618"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "InChIKey=ATJFFYVFTNAWJD-LZFNBGRKSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn125" ;
skos:prefLabel "tin 125"@nl .
csc:KGHMWBNEMFNJFZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9126 ;
dbo:casNumber "192-65-4" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene"@en ;
dbo:pubchem "9126"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC=CC(=C64)C=C3" ;
dbp:inchikey "InChIKey=KGHMWBNEMFNJFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBaeP" ;
skos:prefLabel "dibenzo(a,e)pyreen"@nl .
csc:CHEMONTID_0000011
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000011 ;
skos:definition "Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000011" ;
skos:prefLabel "Carbohydrates and carbohydrate conjugates"@en .
csc:SCCDDNKJYDZXMM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39722 ;
dbo:casNumber "55353-08-7" , "50563-36-5" ;
dbo:formula "C13H18ClNO2" ;
dbo:inchi "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" ;
dbo:iupacName "2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide"@en ;
dbo:pubchem "39722"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl" ;
dbp:inchikey "InChIKey=SCCDDNKJYDZXMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmtCl" ;
skos:prefLabel "dimethachloor"@nl .
csc:CHEMONTID_0002863
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002863 ;
skos:definition "Vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N , csc:CYTYCFOTNPOANT-UHFFFAOYSA-N , csc:PNLQPWWBHXMFCA-UHFFFAOYSA-N , csc:PPKPKFIWDXDAGC-IHWYPQMZSA-N , csc:HIILBTHBHCLUER-IWQZZHSRSA-N , csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N , csc:PXTADLCAVHRXCA-UHFFFAOYSA-N , csc:UOORRWUZONOOLO-UPHRSURJSA-N , csc:UOORRWUZONOOLO-OWOJBTEDSA-N , csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N , csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N , csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N , csc:PPKPKFIWDXDAGC-NSCUHMNNSA-N , csc:ZKRSTHSWOFIHMZ-UHFFFAOYSA-N , csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N , csc:OWXJKYNZGFSVRC-NSCUHMNNSA-N , csc:OWXJKYNZGFSVRC-IHWYPQMZSA-N , csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N , csc:YACLQRRMGMJLJV-UHFFFAOYSA-N , csc:FCMVPUGRXPEIQX-UHFFFAOYSA-N , csc:DAASOABUJRMZAD-UHFFFAOYSA-N , csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N , csc:FALCMQXTWHPRIH-UHFFFAOYSA-N , csc:BIWJNBZANLAXMG-UHFFFAOYSA-N , csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N , csc:KFUSEUYYWQURPO-UPHRSURJSA-N ;
skos:notation "CHEMONTID:0002863" ;
skos:prefLabel "Vinyl chlorides"@en .
csc:QUNWUDVFRNGTCO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4687 ;
dbo:casNumber "611-59-6" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)" ;
dbo:iupacName "1,7-dimethyl-3H-purine-2,6-dione"@en ;
dbo:pubchem "4687"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)N(C(=O)N2)C" ;
dbp:inchikey "InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17DC1yxtne" ;
skos:prefLabel "1,7-dimethylxanthine"@nl .
csc:HOBAELRKJCKHQD-QNEBEIHSSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280581 ;
dbo:casNumber "1783-84-2" ;
dbo:formula "C20H34O2" ;
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" ;
dbo:iupacName "(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid"@en ;
dbo:pubchem "5280581"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=HOBAELRKJCKHQD-QNEBEIHSSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c81114C20aTz" ;
skos:prefLabel "cis-8,11,14-eicosatrieenzuur"@nl .
csc:GKLVYJBZJHMRIY-OUBTZVSYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26476 ;
dbo:casNumber "14133-76-7" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1+1" ;
dbo:iupacName "TECHNETIUM"@en ;
dbo:pubchem "26476"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "InChIKey=GKLVYJBZJHMRIY-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc99" ;
skos:prefLabel "technetium 99"@nl .
csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86160 ;
dbo:casNumber "118134-30-8" ;
dbo:formula "C18H35NO2" ;
dbo:inchi "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" ;
dbo:iupacName "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]-N-ethylpropan-1-amine"@en ;
dbo:pubchem "86160"^^xsd:int ;
dbo:smiles "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" ;
dbp:inchikey "InChIKey=PUYXTUJWRLOUCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:exactMatch wise:CAS_118134-30-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirxmne" ;
skos:prefLabel "spiroxamine"@nl ;
vcs:vmmParameterId "1480"^^xsd:int .
csc:CHEMONTID_0002380
skos:narrower csc:FTNJWQUOZFUQQJ-NDAWSKJSSA-N .
csc:IFTRQJLVEBNKJK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15431 ;
dbo:casNumber "1640-89-7" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "Ethylcyclopentane"@en ;
dbo:pubchem "15431"^^xsd:int ;
dbo:smiles "CCC1CCCC1" ;
dbp:inchikey "InChIKey=IFTRQJLVEBNKJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yccC5a" ;
skos:prefLabel "ethylcyclopentaan"@nl .
csc:VCHOFVSNWYPAEF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23229 ;
dbo:casNumber "6781-42-6" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3" ;
dbo:iupacName "1-(3-acetylphenyl)ethanone"@en ;
dbo:pubchem "23229"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC(=CC=C1)C(=O)C" ;
dbp:inchikey "InChIKey=VCHOFVSNWYPAEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DactBen" ;
skos:prefLabel "1,3-diacetylbenzeen"@nl .
csc:CIFFBTOJCKSRJY-OLQVQODUSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92888 ;
dbo:casNumber "1469-48-3" ;
dbo:formula "C8H9NO2" ;
dbo:inchi "InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+" ;
dbo:iupacName "(3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "92888"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)NC2=O" ;
dbp:inchikey "InChIKey=CIFFBTOJCKSRJY-OLQVQODUSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Hflmde" ;
skos:prefLabel "tetrahydroftaalimide"@nl .
csc:KQBFUDNJKCZEDQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40476 ;
dbo:casNumber "52663-69-1" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40476"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=KQBFUDNJKCZEDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB183" ;
skos:prefLabel "2,2',3,4,4',5',6-heptachloorbifenyl"@nl .
csc:WFRUBUQWJYMMRQ-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:76041 ;
dbo:casNumber "117925-64-1" , "2795-39-3" , "59112-13-9" , "62010-27-9" , "69458-54-4" ;
dbo:formula "C8F17KO3S" ;
dbo:inchi "InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1" ;
dbo:iupacName "potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate"@en ;
dbo:pubchem "76041"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]" ;
dbp:inchikey "InChIKey=WFRUBUQWJYMMRQ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOS_K" ;
skos:prefLabel "perfluoroctaansulfonaat, kaliumzout"@nl .
csc:CHEMONTID_0004527
skos:narrower csc:VXIVSQZSERGHQP-UHFFFAOYSA-N .
csc:CHEMONTID_0000552
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000552 ;
skos:definition "Inorganic compounds in which the heaviest atom bonded to a hydrogen atom is belongs to the class of 'other non-metals'."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YZCKVEUIGOORGS-UHFFFAOYSA-N , csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N ;
skos:notation "CHEMONTID:0000552" ;
skos:prefLabel "Other non-metal hydrides"@en .
csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21013 ;
dbo:casNumber "4901-51-3" , "25167-83-3" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H" ;
dbo:iupacName "2,3,4,5-TETRACHLOROPHENOL"@en ;
dbo:pubchem "21013"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O" ;
dbp:inchikey "InChIKey=RULKYXXCCZZKDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_4901-51-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345T4ClFol" ;
skos:prefLabel "2,3,4,5-tetrachloorfenol"@nl ;
vcs:vmmParameterId "335"^^xsd:int .
csc:BMIPMKQAAJKBKP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8717 ;
dbo:casNumber "137-17-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3" ;
dbo:iupacName "2,4,5-Trimethylaniline"@en ;
dbo:pubchem "8717"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C)N)C" ;
dbp:inchikey "InChIKey=BMIPMKQAAJKBKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TC1yAn" ;
skos:prefLabel "2,4,5-trimethylaniline"@nl .
csc:ONKNPOPIGWHAQC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91497 ;
dbo:casNumber "1222-05-5" , "80450-66-4" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3" ;
dbo:iupacName "4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene"@en ;
dbo:pubchem "91497"^^xsd:int ;
dbo:smiles "CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C" ;
dbp:inchikey "InChIKey=ONKNPOPIGWHAQC-UHFFFAOYSA-N" ;
skos:altLabel "hexahydrohexamethylcyclopentabenzopyran (HHCB)"@nl ;
skos:broader csc:CHEMONTID_0003411 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HHCB" ;
skos:prefLabel "hexahydrohexamethylcyclopentabenzopyran (hhcb)"@nl .
csc:CHEMONTID_0004670
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004670 ;
skos:definition "Aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XCZCWGVXRBJCCD-UHFFFAOYSA-N , csc:BHAAPTBBJKJZER-UHFFFAOYSA-N , csc:VMPITZXILSNTON-UHFFFAOYSA-N , csc:XPKFTIYOZUJAGA-UHFFFAOYSA-N , csc:FDJQHYWUHGBBTO-UHFFFAOYSA-N , csc:XQVCBOLNTSUFGD-UHFFFAOYSA-N , csc:WXWCDTXEKCVRRO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004670" ;
skos:prefLabel "Aminophenyl ethers"@en .
csc:YPJUNDFVDDCYIH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9777 ;
dbo:casNumber "375-22-4" ;
dbo:formula "C4HF7O2" ;
dbo:inchi "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)" ;
dbo:iupacName "2,2,3,3,4,4,4-heptafluorobutanoic acid"@en ;
dbo:pubchem "9777"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=YPJUNDFVDDCYIH-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-butaanzuur (pfba)"@nl , "perfluor-n-butaanzuur"@nl , "perfluorbutaanzuur (pfba)"@nl , "perfluorbutaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFBA" ;
skos:prefLabel "Perfluoro-n-butaanzuur"@nl .
csc:KVQVGSDBGJXNGV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15264 ;
dbo:casNumber "1560-88-9" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3" ;
dbo:iupacName "2-METHYLOCTADECANE"@en ;
dbo:pubchem "15264"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=KVQVGSDBGJXNGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC18a" ;
skos:prefLabel "2-methyloctadecaan"@nl .
csc:QNVRIHYSUZMSGM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12297 ;
dbo:casNumber "52019-78-0" , "54972-97-3" , "20281-86-1" , "26549-24-6" , "626-93-7" , "69203-06-1" , "37769-60-1" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" ;
dbo:iupacName "hexan-2-ol"@en ;
dbo:pubchem "12297"^^xsd:int ;
dbo:smiles "CCCCC(C)O" ;
dbp:inchikey "InChIKey=QNVRIHYSUZMSGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C6ol" ;
skos:prefLabel "2-hexanol"@nl .
csc:ARUVKPQLZAKDPS-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24462 ;
dbo:casNumber "10124-44-4" , "18939-61-2" , "7758-98-7" , "139939-69-8" ;
dbo:formula "CuO4S" ;
dbo:inchi "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "Copper sulfate"@en ;
dbo:pubchem "24462"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Cu+2]" ;
dbp:inchikey "InChIKey=ARUVKPQLZAKDPS-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CuSO4" ;
skos:prefLabel "kopersulfaat"@nl .
csc:LGRFSURHDFAFJT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6811 ;
dbo:casNumber "39363-63-8" , "85-44-9" , "68411-80-3" ;
dbo:formula "C8H4O3" ;
dbo:inchi "InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H" ;
dbo:iupacName "2-benzofuran-1,3-dione"@en ;
dbo:pubchem "6811"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)OC2=O" ;
dbp:inchikey "InChIKey=LGRFSURHDFAFJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001109 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ftaalzrahdde" ;
skos:prefLabel "ftaalzuuranhydride"@nl .
csc:MKXKFYHWDHIYRV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3397 ;
dbo:casNumber "13311-84-7" , "37209-54-4" , "337962-98-8" ;
dbo:formula "C11H11F3N2O3" ;
dbo:inchi "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)" ;
dbo:iupacName "2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide"@en ;
dbo:pubchem "3397"^^xsd:int ;
dbo:smiles "CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F" ;
dbp:inchikey "InChIKey=MKXKFYHWDHIYRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutmde" ;
skos:prefLabel "flutamide"@nl .
csc:OMPJBNCRMGITSC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7187 ;
dbo:casNumber "132323-44-5" , "37370-29-9" , "143928-58-9" , "94-36-0" , "117989-71-6" ;
dbo:formula "C14H10O4" ;
dbo:inchi "InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "benzoyl benzenecarboperoxoate"@en ;
dbo:pubchem "7187"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=OMPJBNCRMGITSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004112 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzypO" ;
skos:prefLabel "benzoylperoxide"@nl .
csc:DNYWXJPIRSNXIP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182782 ;
dbo:casNumber "127099-33-6" ;
dbo:formula "C2H2BrCl3" ;
dbo:inchi "InChI=1S/C2H2BrCl3/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "2-bromo-1,1,1-trichloroethane"@en ;
dbo:pubchem "182782"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)Br" ;
dbp:inchikey "InChIKey=DNYWXJPIRSNXIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "broomtrichloorethaan"@nl .
csc:BNWJOHGLIBDBOB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4276 ;
dbo:casNumber "607-91-0" ;
dbo:formula "C11H12O3" ;
dbo:inchi "InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3" ;
dbo:iupacName "4-methoxy-6-prop-2-enyl-1,3-benzodioxole"@en ;
dbo:pubchem "4276"^^xsd:int ;
dbo:smiles "COC1=CC(=CC2=C1OCO2)CC=C" ;
dbp:inchikey "InChIKey=BNWJOHGLIBDBOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6all4C1ox13B" ;
skos:prefLabel "6-allyl-4-methoxy-1,3-benzodioxol"@nl .
csc:SEEPANYCNGTZFQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5215 ;
dbo:casNumber "68-35-9" , "141582-64-1" ;
dbo:formula "C10H10N4O2S" ;
dbo:inchi "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)" ;
dbo:iupacName "4-amino-N-pyrimidin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5215"^^xsd:int ;
dbo:smiles "C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=SEEPANYCNGTZFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdazne" ;
skos:prefLabel "sulfadiazine"@nl .
csc:CHEMONTID_0003899
skos:narrower csc:YSXKPIUOCJLQIE-UHFFFAOYSA-N , csc:RQEUFEKYXDPUSK-UHFFFAOYSA-N , csc:INGSNVSERUZOAK-UHFFFAOYSA-N , csc:HWHLPVGTWGOCJO-UHFFFAOYSA-N , csc:GGWBHVILAJZWKJ-KJEVSKRMSA-N .
csc:YRSSHOVRSMQULE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:74685 ;
dbo:casNumber "1891-95-8" ;
dbo:formula "C7H3Cl2NO" ;
dbo:inchi "InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "3,5-Dichloro-4-hydroxybenzonitrile"@en ;
dbo:pubchem "74685"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)O)Cl)C#N" ;
dbp:inchikey "InChIKey=YRSSHOVRSMQULE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClOxnl" ;
skos:prefLabel "chlooroxynil"@nl .
csc:MYEIDJPOUKASEC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7197 ;
dbo:casNumber "94-58-6" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3" ;
dbo:iupacName "5-Propyl-1,3-benzodioxole"@en ;
dbo:pubchem "7197"^^xsd:int ;
dbo:smiles "CCCC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "InChIKey=MYEIDJPOUKASEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHsfl" ;
skos:prefLabel "dihydrosafrol"@nl .
csc:CHEMONTID_0000446
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000446 ;
skos:definition "Inorganic oxoanionic compounds in which the heaviest atom not in an oxoanion is an alkaline earth metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000446" ;
skos:prefLabel "Alkaline earth metal oxoanionic compounds"@en .
csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6599 ;
dbo:casNumber "79-45-8" ;
dbo:formula "C3H7NS2" ;
dbo:inchi "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)" ;
dbo:iupacName "dimethylaminomethanedithioic acid"@en ;
dbo:pubchem "6599"^^xsd:int ;
dbo:smiles "CN(C)C(=S)S" ;
dbp:inchikey "InChIKey=MZGNSEAPZQGJRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000004 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDtocbmt" ;
skos:prefLabel "dimethyldithiocarbamaat"@nl .
csc:PQTBTIFWAXVEPB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91760 ;
dbo:casNumber "99105-77-8" , "114680-61-4" , "123174-48-1" ;
dbo:formula "C14H13ClO5S" ;
dbo:inchi "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" ;
dbo:iupacName "2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione"@en ;
dbo:pubchem "91760"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl" ;
dbp:inchikey "InChIKey=PQTBTIFWAXVEPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004673 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulcton" ;
skos:prefLabel "sulcotrion"@nl .
csc:IJLXLZGJDSJGIQ-BILPMHSYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:119086 ;
dbo:casNumber "24320-06-7" ;
dbo:formula "C22H32O3" ;
dbo:inchi "InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "119086"^^xsd:int ;
dbo:smiles "CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)CO)C" ;
dbp:inchikey "InChIKey=IJLXLZGJDSJGIQ-BILPMHSYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "org2058" ;
skos:prefLabel "16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione"@nl .
csc:GRKDVZMVHOLESV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:101059 ;
dbo:casNumber "59447-55-1" ;
dbo:formula "C10H5Br5O2" ;
dbo:inchi "InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2" ;
dbo:iupacName "(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate"@en ;
dbo:pubchem "101059"^^xsd:int ;
dbo:smiles "C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=GRKDVZMVHOLESV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeBrFyC1yacl" ;
skos:prefLabel "(pentabroomfenyl)methylacrylaat"@nl .
csc:OGPBJKLSAFTDLK-NJFSPNSNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105012 ;
dbo:casNumber "15585-10-1" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+2" ;
dbo:iupacName "europium-154"@en ;
dbo:pubchem "105012"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu154" ;
skos:prefLabel "europium 154"@nl .
csc:XEEYBQQBJWHFJM-AKLPVKDBSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104784 ;
dbo:casNumber "14596-12-4" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe/i1+3" ;
dbo:iupacName "iron-59"@en ;
dbo:pubchem "104784"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "InChIKey=XEEYBQQBJWHFJM-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe59" ;
skos:prefLabel "ijzer 59"@nl .
csc:RKZDZWJDQTZDLD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9147 ;
dbo:casNumber "203-64-5" ;
dbo:formula "C15H10" ;
dbo:inchi "InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2" ;
dbo:iupacName "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene"@en ;
dbo:pubchem "9147"^^xsd:int ;
dbo:smiles "C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3" ;
dbp:inchikey "InChIKey=RKZDZWJDQTZDLD-UHFFFAOYSA-N" ;
skos:altLabel "4h-cyclopenta(def)fenantreen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HccPedefF02" ;
skos:prefLabel "4H-cyclopenta(def)fenantreen"@nl .
csc:UREBDLICKHMUKA-DVTGEIKXSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9782 ;
dbo:casNumber "378-44-9" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9782"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C" ;
dbp:inchikey "InChIKey=UREBDLICKHMUKA-DVTGEIKXSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "betmtsn" ;
skos:prefLabel "betamethason"@nl .
csc:CHEMONTID_0000510
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000510 ;
skos:definition "Organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YUKQRDCYNOVPGJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000510" ;
skos:prefLabel "Thioamides"@en .
csc:CHEMONTID_0003480
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003480 ;
skos:definition "Compound containing an ester derivative of cinnamic acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YBGZDTIWKVFICR-JLHYYAGUSA-N ;
skos:notation "CHEMONTID:0003480" ;
skos:prefLabel "Cinnamic acid esters"@en .
csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24764 ;
dbo:casNumber "107-46-0" , "9006-65-9" ;
dbo:formula "C6H18OSi2" ;
dbo:inchi "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" ;
dbo:iupacName "trimethyl-trimethylsilyloxysilane"@en ;
dbo:pubchem "24764"^^xsd:int ;
dbo:smiles "C[Si](C)(C)O[Si](C)(C)C" ;
dbp:inchikey "InChIKey=UQEAIHBTYFGYIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yDslxn" ;
skos:prefLabel "hexamethyldisiloxaan"@nl .
csc:ICVKYYINQHWDLM-YLNALPTESA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433274 ;
dbo:casNumber "1405-54-5" ;
dbo:formula "C50H83NO23" ;
dbo:inchi "InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1" ;
dbo:iupacName "(2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "6433274"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O" ;
dbp:inchikey "InChIKey=ICVKYYINQHWDLM-YLNALPTESA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tylsnttt" ;
skos:prefLabel "tylosine tartraat"@nl .
csc:CHEMONTID_0004479
skos:narrower csc:OXOZHAWWRPCVGL-UHFFFAOYSA-N .
csc:DWAQJAXMDSEUJJ-UHFFFAOYSA-L
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6398973 ;
dbo:casNumber "57414-01-4" , "89830-27-3" , "91829-63-9" , "7631-90-5" , "69098-86-8" ;
dbo:formula "NaO3S-" ;
dbo:inchi "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2" ;
dbo:iupacName "SODIUM SULFITE"@en ;
dbo:pubchem "6398973"^^xsd:int ;
dbo:smiles "[O-]S(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=DWAQJAXMDSEUJJ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaHSO3" ;
skos:prefLabel "natriumwaterstofsulfiet"@nl .
csc:CTRLABGOLIVAIY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34312 ;
dbo:casNumber "28721-07-5" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)" ;
dbo:iupacName "5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "34312"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N" ;
dbp:inchikey "InChIKey=CTRLABGOLIVAIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxcbmzpne" ;
skos:prefLabel "oxcarbamazepine"@nl .
csc:CHEMONTID_0002253
skos:narrower csc:RLQJEEJISHYWON-UHFFFAOYSA-N .
csc:JZRCRCFPVAXHHQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2782413 ;
dbo:casNumber "34598-33-9" ;
dbo:formula "C11H5F17O2" ;
dbo:inchi "InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)" ;
dbo:iupacName "4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid"@en ;
dbo:pubchem "2782413"^^xsd:int ;
dbo:smiles "C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O" ;
dbp:inchikey "InChIKey=JZRCRCFPVAXHHQ-UHFFFAOYSA-N" ;
skos:altLabel "2h,2h,3h,3h-perfluorundecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H-PFUdA" ;
skos:prefLabel "2H,2H,3H,3H-perfluorundecaanzuur"@nl .
csc:CHEMONTID_0001026
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001026 ;
skos:definition "Organic compounds containing the alkyl chloride functional group with formula R-Cl , where R is an alkyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001026" ;
skos:prefLabel "Alkyl chlorides"@en .
csc:CHEMONTID_0000425
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000425 ;
skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TVFDJXOCXUVLDH-OUBTZVSYSA-N , csc:IGLNJRXAVVLDKE-OUBTZVSYSA-N , csc:KEAYESYHFKHZAL-BJUDXGSMSA-N , csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N , csc:KLMCZVJOEAUDNE-UHFFFAOYSA-N , csc:KLMCZVJOEAUDNE-IGMARMGPSA-N , csc:ZLMJMSJWJFRBEC-OUBTZVSYSA-N , csc:TVFDJXOCXUVLDH-RNFDNDRNSA-N , csc:IGLNJRXAVVLDKE-UHFFFAOYSA-N , csc:TVFDJXOCXUVLDH-UHFFFAOYSA-N , csc:WHXSMMKQMYFTQS-UHFFFAOYSA-N , csc:FKNQFGJONOIPTF-UHFFFAOYSA-N , csc:TVFDJXOCXUVLDH-BJUDXGSMSA-N , csc:TVFDJXOCXUVLDH-AKLPVKDBSA-N ;
skos:notation "CHEMONTID:0000425" ;
skos:prefLabel "Homogeneous alkali metal compounds"@en .
csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13940 ;
dbo:casNumber "1031-07-8" , "6749-25-3" , "87695-43-0" ;
dbo:formula "C9H6Cl6O4S" ;
dbo:inchi "InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide"@en ;
dbo:pubchem "13940"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=AAPVQEMYVNZIOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:exactMatch wise:CAS_1031-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfSO4" ;
skos:prefLabel "endosulfansulfaat"@nl ;
vcs:vmmParameterId "238"^^xsd:int .
csc:CHEMONTID_0002800
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002800 ;
skos:definition "Organosulfur compounds with the general formula RSSR' (R,R' = alkyl, aryl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002800" ;
skos:prefLabel "Organic disulfides"@en .
csc:LFSAPCRASZRSKS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11419 ;
dbo:casNumber "583-60-8" , "24965-84-2" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" ;
dbo:iupacName "2-methylcyclohexan-1-one"@en ;
dbo:pubchem "11419"^^xsd:int ;
dbo:smiles "CC1CCCCC1=O" ;
dbp:inchikey "InChIKey=LFSAPCRASZRSKS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-methylcyclohexanon"@nl .
csc:MCWXGJITAZMZEV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3082 ;
dbo:casNumber "56833-73-9" , "79956-18-6" , "11003-53-5" , "11096-20-1" , "60-51-5" ;
dbo:formula "C5H12NO3PS2" ;
dbo:inchi "InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" ;
dbo:iupacName "2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide"@en ;
dbo:pubchem "3082"^^xsd:int ;
dbo:smiles "CNC(=O)CSP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=MCWXGJITAZMZEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_60-51-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtat" ;
skos:prefLabel "dimethoaat"@nl ;
vcs:vmmParameterId "396"^^xsd:int .
csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1752 ;
dbo:casNumber "29832-11-9" , "68081-86-7" , "104-40-5" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3" ;
dbo:iupacName "4-NONYLPHENOL"@en ;
dbo:pubchem "1752"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=IGFHQQFPSIBGKE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_005 ;
skos:altLabel "4-n-nonylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_104-40-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C9yFol" ;
skos:prefLabel "4-nonylfenol"@nl ;
vcs:vmmParameterId "828"^^xsd:int .
csc:VUBDMGXNLNDGIY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61546 ;
dbo:casNumber "12057-74-8" ;
dbo:formula "Mg3P2" ;
dbo:inchi "InChI=1S/3Mg.2P/q3*+2;2*-3" ;
dbo:iupacName "trimagnesium phosphorus(-3) anion"@en ;
dbo:pubchem "61546"^^xsd:int ;
dbo:smiles "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" ;
dbp:inchikey "InChIKey=VUBDMGXNLNDGIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgP" ;
skos:prefLabel "magnesiumfosfide"@nl .
csc:JPOPEORRMSDUIP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16495 ;
dbo:casNumber "2136-99-4" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "16495"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JPOPEORRMSDUIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB202" ;
skos:prefLabel "2,2',3,3',5,5',6,6'-octachloorbifenyl"@nl .
csc:WATWJIUSRGPENY-NJFSPNSNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335510 ;
dbo:casNumber "14683-10-4" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+2" ;
dbo:iupacName "antimony-124"@en ;
dbo:pubchem "6335510"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb124" ;
skos:prefLabel "antimoon 124"@nl .
csc:MNFMIVVPXOGUMX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36392 ;
dbo:casNumber "33245-39-5" ;
dbo:formula "C12H13ClF3N3O4" ;
dbo:inchi "InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3" ;
dbo:iupacName "N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "36392"^^xsd:int ;
dbo:smiles "CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=MNFMIVVPXOGUMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluClaln" ;
skos:prefLabel "fluchloralin"@nl .
csc:DHVLDKHFGIVEIP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61948 ;
dbo:casNumber "35691-65-7" ;
dbo:formula "C6H6Br2N2" ;
dbo:inchi "InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2" ;
dbo:iupacName "2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE"@en ;
dbo:pubchem "61948"^^xsd:int ;
dbo:smiles "C(CC(CBr)(C#N)Br)C#N" ;
dbp:inchikey "InChIKey=DHVLDKHFGIVEIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBr24DCNC4" ;
skos:prefLabel "1,2-dibroom-2,4-dicyanobutaan"@nl .
csc:CDTWRIBBCOMBSI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:296567 ;
dbo:casNumber "55429-83-9" ;
dbo:formula "C34H70" ;
dbo:inchi "InChI=1S/C34H70/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h34H,4-33H2,1-3H3" ;
dbo:iupacName "9-octylhexacosane"@en ;
dbo:pubchem "296567"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC" ;
dbp:inchikey "InChIKey=CDTWRIBBCOMBSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C8yC26a" ;
skos:prefLabel "9-octylhexacosaan"@nl .
csc:CHEMONTID_0000398
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000398 ;
skos:definition "Compounds having two beta-haloalkyl groups bound to a nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HAWPXGHAZFHHAD-UHFFFAOYSA-N , csc:CMSMOCZEIVJLDB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000398" ;
skos:prefLabel "Nitrogen mustard compounds"@en .
csc:DXJURUJRANOYMX-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76040 ;
dbo:casNumber "1493-13-6" , "2794-60-7" ;
dbo:formula "C2BaF6O6S2" ;
dbo:inchi "InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2" ;
dbo:iupacName "barium(+2) cation; trifluoromethanesulfonate"@en ;
dbo:pubchem "76040"^^xsd:int ;
dbo:smiles "C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ba+2]" ;
dbp:inchikey "InChIKey=DXJURUJRANOYMX-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFlC1asfzr" ;
skos:prefLabel "trifluormethaansulfonzuur"@nl .
csc:HXWHIGAHMKKVBV-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71079 ;
dbo:casNumber "335-93-3" ;
dbo:formula "C8AgF15O2" ;
dbo:inchi "InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1" ;
dbo:iupacName "silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate"@en ;
dbo:pubchem "71079"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Ag+]" ;
dbp:inchikey "InChIKey=HXWHIGAHMKKVBV-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_Ag" ;
skos:prefLabel "perfluoroctaanzuur, zilver(1plus)zout (1-1)"@nl .
csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32184 ;
dbo:casNumber "24017-47-8" ;
dbo:formula "C12H16N3O3PS" ;
dbo:inchi "InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane"@en ;
dbo:pubchem "32184"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=AMFGTOFWMRQMEM-UHFFFAOYSA-N" ;
skos:altLabel "triazophos"@nl ;
skos:broader csc:CHEMONTID_0003314 ;
skos:exactMatch wise:CAS_24017-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazfs" ;
skos:prefLabel "triazofos"@nl ;
vcs:vmmParameterId "406"^^xsd:int .
csc:GZCGUPFRVQAUEE-SLPGGIOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:107526 ;
dbo:casNumber "28823-03-2" , "9050-36-6" , "815-92-9" , "19030-38-7" ;
dbo:formula "C6H12O6" ;
dbo:inchi "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1" ;
dbo:iupacName "(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal"@en ;
dbo:pubchem "107526"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C=O)O)O)O)O)O" ;
dbp:inchikey "InChIKey=GZCGUPFRVQAUEE-SLPGGIOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "maltdtne" ;
skos:prefLabel "maltodextrine"@nl .
csc:UNCGJRRROFURDV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38879 ;
dbo:casNumber "41464-43-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,3-dichlorophenyl)benzene"@en ;
dbo:pubchem "38879"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=UNCGJRRROFURDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB56" ;
skos:prefLabel "2,3,3',4'-tetrachloorbifenyl"@nl .
csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12418 ;
dbo:casNumber "630-20-6" ;
dbo:formula "C2H2Cl4" ;
dbo:inchi "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "1,1,1,2-TETRACHLOROETHANE"@en ;
dbo:pubchem "12418"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QVLAWKAXOMEXPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_630-20-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1112T4ClC2a" ;
skos:prefLabel "1,1,1,2-tetrachloorethaan"@nl ;
vcs:vmmParameterId "313"^^xsd:int .
csc:JWBOIMRXGHLCPP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4211 ;
dbo:casNumber "53-19-0" ;
dbo:formula "C14H10Cl4" ;
dbo:inchi "InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "4211"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JWBOIMRXGHLCPP-UHFFFAOYSA-N" ;
skos:altLabel "2,4'-dichloordifenyldichloorethaan"@nl , "o,p’-ddd"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_53-19-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDD" ;
skos:prefLabel "op'dichloordifenyldichloorethaan"@nl ;
vcs:vmmParameterId "255"^^xsd:int .
csc:CIOAGBVUUVVLOB-OUBTZVSYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5388880 ;
dbo:casNumber "14158-27-1" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1+1" ;
dbo:iupacName "strontium-89"@en ;
dbo:pubchem "5388880"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "InChIKey=CIOAGBVUUVVLOB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr89" ;
skos:prefLabel "strontium 89"@nl .
csc:MLPOSYHILZVCJH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33781 ;
dbo:casNumber "27323-28-0" ;
dbo:formula "C18H18N2" ;
dbo:inchi "InChI=1S/2C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7/h2*2-6,10H,1H3" ;
dbo:iupacName "2-methyl-1H-indole; 5-methyl-1H-indole"@en ;
dbo:pubchem "33781"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)NC=C2.CC1=CC2=CC=CC=C2N1" ;
dbp:inchikey "InChIKey=MLPOSYHILZVCJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yidl" ;
skos:prefLabel "methylindool"@nl .
csc:IWDQPCIQCXRBQP-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8807 ;
dbo:casNumber "140-56-7" , "150-70-9" ;
dbo:formula "C8H10N3NaO3S" ;
dbo:inchi "InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1" ;
dbo:iupacName "sodium N-(4-dimethylaminophenyl)iminosulfamate"@en ;
dbo:pubchem "8807"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=IWDQPCIQCXRBQP-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmnsf" ;
skos:prefLabel "fenaminosulf"@nl .
csc:JNRLEMMIVRBKJE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7567 ;
dbo:casNumber "30135-64-9" , "101-61-1" ;
dbo:formula "C17H22N2" ;
dbo:inchi "InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3" ;
dbo:iupacName "4-[(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline"@en ;
dbo:pubchem "7567"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "InChIKey=JNRLEMMIVRBKJE-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleenbis(N,N-dimethylaniline)"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yebNNDC1" ;
skos:prefLabel "4,4'-methyleenbis(n,n-dimethylaniline)"@nl .
csc:YGFIGGVCQHKDOL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61111 ;
dbo:casNumber "422-48-0" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(6)2(5,7)3(8,9)10/h1H" ;
dbo:iupacName "2,3-DICHLORO-1,1,1,2,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61111"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=YGFIGGVCQHKDOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ba" ;
skos:prefLabel "2,3-dichloor-1,1,1,2,3-pentafluorpropaan"@nl .
csc:JAZBEHYOTPTENJ-JLNKQSITSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:446284 ;
dbo:casNumber "25377-48-4" , "10417-94-4" ;
dbo:formula "C20H30O2" ;
dbo:inchi "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-" ;
dbo:iupacName "(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid"@en ;
dbo:pubchem "446284"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O" ;
dbp:inchikey "InChIKey=JAZBEHYOTPTENJ-JLNKQSITSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC20aPezr" ;
skos:prefLabel "cis-5,8,11,14,17-eicosapentaeenzuur"@nl .
csc:CHEMONTID_0000462
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000462 ;
skos:definition "Organic compounds containing a bond between a carbon atom and metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000462" ;
skos:prefLabel "Organometallic compounds"@en .
csc:CVHZOJJKTDOEJC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5143 ;
dbo:casNumber "126987-83-5" , "81-07-2" , "474-91-9" , "61255-27-4" ;
dbo:formula "C7H5NO3S" ;
dbo:inchi "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)" ;
dbo:iupacName "1,1-dioxo-1,2-benzothiazol-3-one"@en ;
dbo:pubchem "5143"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NS2(=O)=O" ;
dbp:inchikey "InChIKey=CVHZOJJKTDOEJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "saccrne" ;
skos:prefLabel "saccharine"@nl .
csc:AFCCDDWKHLHPDF-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8727 ;
dbo:casNumber "144-54-7" , "6734-80-1" , "137-42-8" ;
dbo:formula "C2H4NNaS2" ;
dbo:inchi "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium methylaminomethanedithioate"@en ;
dbo:pubchem "8727"^^xsd:int ;
dbo:smiles "CN=C(S)[S-].[Na+]" ;
dbp:inchikey "InChIKey=AFCCDDWKHLHPDF-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metNa" ;
skos:prefLabel "metham-natrium"@nl .
csc:GUTLYIVDDKVIGB-OIOBTWANSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:166998 ;
dbo:casNumber "14093-03-9" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-3" ;
dbo:iupacName "cobalt-56"@en ;
dbo:pubchem "166998"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co56" ;
skos:prefLabel "kobalt 56"@nl .
csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5216 ;
dbo:casNumber "11141-20-1" , "12764-71-5" , "119603-94-0" , "39291-64-0" , "122-34-9" ;
dbo:formula "C7H12ClN5" ;
dbo:inchi "InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "5216"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NCC" ;
dbp:inchikey "InChIKey=ODCWYMIRDDJXKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:exactMatch wise:CAS_122-34-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simzne" ;
skos:prefLabel "simazine"@nl ;
vcs:vmmParameterId "280"^^xsd:int .
csc:VOPWNXZWBYDODV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6372 ;
dbo:casNumber "75-45-6" , "134191-96-1" , "73666-77-0" , "191542-01-5" ;
dbo:formula "CHClF2" ;
dbo:inchi "InChI=1S/CHClF2/c2-1(3)4/h1H" ;
dbo:iupacName "chloro-difluoromethane"@en ;
dbo:pubchem "6372"^^xsd:int ;
dbo:smiles "C(F)(F)Cl" ;
dbp:inchikey "InChIKey=VOPWNXZWBYDODV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK22" ;
skos:prefLabel "chloordifluormethaan"@nl .
csc:GOLXNESZZPUPJE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9907412 ;
dbo:casNumber "283594-90-1" ;
dbo:formula "C23H30O4" ;
dbo:inchi "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" ;
dbo:iupacName "[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate"@en ;
dbo:pubchem "9907412"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C" ;
dbp:inchikey "InChIKey=GOLXNESZZPUPJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmsfn" ;
skos:prefLabel "spiromesifen"@nl .
csc:IMKHDCBNRDRUEB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27209 ;
dbo:casNumber "19432-05-4" , "15356-74-8" , "17092-92-1" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3" ;
dbo:iupacName "4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one"@en ;
dbo:pubchem "27209"^^xsd:int ;
dbo:smiles "CC1(CCCC2(C1=CC(=O)O2)C)C" ;
dbp:inchikey "InChIKey=IMKHDCBNRDRUEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000301 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5677aT4H447a" ;
skos:prefLabel "5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2-benzofuranon"@nl .
csc:WZDGZWOAQTVYBX-XOINTXKNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:444008 ;
dbo:casNumber "5630-53-5" ;
dbo:formula "C21H28O2" ;
dbo:inchi "InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1" ;
dbo:iupacName "(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "444008"^^xsd:int ;
dbo:smiles "CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O" ;
dbp:inchikey "InChIKey=WZDGZWOAQTVYBX-XOINTXKNSA-N" ;
skos:broader csc:CHEMONTID_0001194 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tibln" ;
skos:prefLabel "tibolon"@nl .
csc:MDQKYGOECVSPIW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34217 ;
dbo:casNumber "28343-61-5" ;
dbo:formula "C8HCl3N2O" ;
dbo:inchi "InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H" ;
dbo:iupacName "2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile"@en ;
dbo:pubchem "34217"^^xsd:int ;
dbo:smiles "C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O" ;
dbp:inchikey "InChIKey=MDQKYGOECVSPIW-UHFFFAOYSA-N" ;
skos:altLabel "4-hydroxy-2,5,6-trichloroisophthalonitrile"@nl ;
skos:broader csc:CHEMONTID_0001530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HTI" ;
skos:prefLabel "4-hydroxy-2,5,6-trichloorisoftalonitril"@nl .
csc:LXOFYPKXCSULTL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31362 ;
dbo:casNumber "171023-04-4" , "37211-43-1" , "166737-17-3" , "126-86-3" , "8043-35-4" , "61879-19-4" ;
dbo:formula "C14H26O2" ;
dbo:inchi "InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3" ;
dbo:iupacName "2,4,7,9-Tetramethyldec-5-yne-4,7-diol"@en ;
dbo:pubchem "31362"^^xsd:int ;
dbo:smiles "CC(C)CC(C)(C#CC(C)(CC(C)C)O)O" ;
dbp:inchikey "InChIKey=LXOFYPKXCSULTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001373 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2479T4C1y5dc" ;
skos:prefLabel "2,4,7,9-tetramethyl-5-decyn-4,7-diol"@nl .
csc:CHEMONTID_0002126
skos:narrower csc:XJKSTNDFUHDPQJ-UHFFFAOYSA-N .
csc:SFNPDDSJBGRXLW-UITAMQMPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5368008 ;
dbo:casNumber "34681-10-2" ;
dbo:formula "C7H14N2O2S" ;
dbo:inchi "InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5-" ;
dbo:iupacName "(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "5368008"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)SC" ;
dbp:inchikey "InChIKey=SFNPDDSJBGRXLW-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxm" ;
skos:prefLabel "butocarboxim"@nl .
csc:DDBMQDADIHOWIC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92389 ;
dbo:casNumber "74070-46-5" ;
dbo:formula "C12H9ClN2O3" ;
dbo:inchi "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" ;
dbo:iupacName "2-chloro-6-nitro-3-(phenoxy)aniline"@en ;
dbo:pubchem "92389"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl" ;
dbp:inchikey "InChIKey=DDBMQDADIHOWIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:exactMatch wise:CAS_74070-46-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acnfn" ;
skos:prefLabel "aclonifen"@nl ;
vcs:vmmParameterId "1523"^^xsd:int .
csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6901 ;
dbo:casNumber "87-68-3" ;
dbo:formula "C4Cl6" ;
dbo:inchi "InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10" ;
dbo:iupacName "1,1,2,3,4,4-hexachlorobuta-1,3-diene"@en ;
dbo:pubchem "6901"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RWNKSTSCBHKHTB-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorbutadieen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_87-68-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClbtDen" ;
skos:prefLabel "hexachloorbutadieen (hcbd)"@nl ;
vcs:vmmParameterId "245"^^xsd:int .
csc:HZJKXKUJVSEEFU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6336 ;
dbo:casNumber "96281-50-4" , "88671-89-0" , "154144-93-1" , "205862-69-7" ;
dbo:formula "C15H17ClN4" ;
dbo:inchi "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" ;
dbo:iupacName "2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile"@en ;
dbo:pubchem "6336"^^xsd:int ;
dbo:smiles "CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=HZJKXKUJVSEEFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mycbtnl" ;
skos:prefLabel "myclobutanil"@nl .
csc:ZUNGGJHBMLMRFJ-UHFFFAOYSA-O
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328134 ;
dbo:casNumber "15845-66-6" ;
dbo:formula "C2H6O3P+" ;
dbo:inchi "InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3/p+1" ;
dbo:iupacName "ethoxy-hydroxy-oxophosphanium"@en ;
dbo:pubchem "6328134"^^xsd:int ;
dbo:smiles "CCO[P+](=O)O" ;
dbp:inchikey "InChIKey=ZUNGGJHBMLMRFJ-UHFFFAOYSA-O" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fostl" ;
skos:prefLabel "fosetyl"@nl .
csc:UAEPNZWRGJTJPN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7962 ;
dbo:casNumber "108-87-2" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "Methylcyclohexane"@en ;
dbo:pubchem "7962"^^xsd:int ;
dbo:smiles "CC1CCCCC1" ;
dbp:inchikey "InChIKey=UAEPNZWRGJTJPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC6a" ;
skos:prefLabel "methylcyclohexaan"@nl .
csc:DZJTZGHZAWTWGA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13558 ;
dbo:casNumber "926-82-9" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "3,5-DIMETHYLHEPTANE"@en ;
dbo:pubchem "13558"^^xsd:int ;
dbo:smiles "CCC(C)CC(C)CC" ;
dbp:inchikey "InChIKey=DZJTZGHZAWTWGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yC5a" ;
skos:prefLabel "3,5-dimethylheptaan"@nl .
csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4931 ;
dbo:casNumber "1918-16-7" , "63704-81-4" ;
dbo:formula "C11H14ClNO" ;
dbo:inchi "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" ;
dbo:iupacName "2-chloro-N-phenyl-N-propan-2-ylacetamide"@en ;
dbo:pubchem "4931"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=CC=C1)C(=O)CCl" ;
dbp:inchikey "InChIKey=MFOUDYKPLGXPGO-UHFFFAOYSA-N" ;
skos:altLabel "propachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_1918-16-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propCl" ;
skos:prefLabel "propachloor"@nl ;
vcs:vmmParameterId "752"^^xsd:int .
csc:BKVJOVPVLOJPKJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17241 ;
dbo:casNumber "2497-06-5" ;
dbo:formula "C8H19O4PS3" ;
dbo:inchi "InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17241"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)(=O)CC" ;
dbp:inchikey "InChIKey=BKVJOVPVLOJPKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dsftsfn" ;
skos:prefLabel "disulfoton-sulfon"@nl .
csc:OMVSWZDEEGIJJI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23284 ;
dbo:casNumber "6846-50-0" , "53490-81-6" ;
dbo:formula "C16H30O4" ;
dbo:inchi "InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3" ;
dbo:iupacName "[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate"@en ;
dbo:pubchem "23284"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C" ;
dbp:inchikey "InChIKey=OMVSWZDEEGIJJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1y13C02" ;
skos:prefLabel "2,2,4-trimethyl-1,3-pentaandioldiisobutyraat"@nl .
csc:UTCJUUGCHWHUNI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:115236 ;
dbo:casNumber "142363-53-9" ;
dbo:formula "C14H21NO5S" ;
dbo:inchi "InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)" ;
dbo:iupacName "2-[(2,6-diethylphenyl)-(methoxymethyl)amino]-2-oxoethanesulfonic acid"@en ;
dbo:pubchem "115236"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O" ;
dbp:inchikey "InChIKey=UTCJUUGCHWHUNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alClC2asfz" ;
skos:prefLabel "alachloorethaansulfonzuur"@nl .
csc:QELSKZZBTMNZEB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7175 ;
dbo:casNumber "85403-59-4" , "94-13-3" , "59593-07-6" ;
dbo:formula "C10H12O3" ;
dbo:inchi "InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3" ;
dbo:iupacName "Propyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7175"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=QELSKZZBTMNZEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3y4HOxbzat" ;
skos:prefLabel "propyl-4-hydroxybenzoaat"@nl .
csc:IGIDLTISMCAULB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7755 ;
dbo:casNumber "105-43-1" , "22160-40-3" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)" ;
dbo:iupacName "3-METHYLPENTANOIC ACID"@en ;
dbo:pubchem "7755"^^xsd:int ;
dbo:smiles "CCC(C)CC(=O)O" ;
dbp:inchikey "InChIKey=IGIDLTISMCAULB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC5azr" ;
skos:prefLabel "3-methylpentaanzuur"@nl .
csc:PGOOBECODWQEAB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:213027 ;
dbo:casNumber "205510-92-5" , "210880-92-5" , "205510-53-8" ;
dbo:formula "C6H8ClN5O2S" ;
dbo:inchi "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" ;
dbo:iupacName "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine"@en ;
dbo:pubchem "213027"^^xsd:int ;
dbo:smiles "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=PGOOBECODWQEAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002635 ;
skos:exactMatch wise:CAS_210880-92-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clotandne" ;
skos:prefLabel "clothianidine"@nl ;
vcs:vmmParameterId "1438"^^xsd:int .
csc:CHEMONTID_0003815
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003815 ;
skos:definition "Glycerolipids that carry exactly three acyl chains attached to the glycerol moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003815" ;
skos:prefLabel "Triradylcglycerols"@en .
csc:FMJSMJQBSVNSBF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22571 ;
dbo:casNumber "149984-83-8" , "6197-30-4" , "80135-31-5" ;
dbo:formula "C24H27NO2" ;
dbo:inchi "InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl 2-cyano-3,3-di(phenyl)prop-2-enoate"@en ;
dbo:pubchem "22571"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N" ;
dbp:inchikey "InChIKey=FMJSMJQBSVNSBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octclne" ;
skos:prefLabel "octocrilene"@nl .
csc:BOEGTKLJZSQCCD-UEKVPHQBSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47965 ;
dbo:casNumber "50370-12-2" ;
dbo:formula "C16H17N3O5S" ;
dbo:inchi "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "47965"^^xsd:int ;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O" ;
dbp:inchikey "InChIKey=BOEGTKLJZSQCCD-UEKVPHQBSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefdxl" ;
skos:prefLabel "cefadroxil"@nl .
csc:OVWYEQOVUDKZNU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12105 ;
dbo:casNumber "620-23-5" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3" ;
dbo:iupacName "3-Methylbenzaldehyde"@en ;
dbo:pubchem "12105"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C=O" ;
dbp:inchikey "InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yBenAh" ;
skos:prefLabel "3-methylbenzaldehyde"@nl .
csc:CHEMONTID_0000356
skos:narrower csc:ZIUSSTSXXLLKKK-KOBPDPAPSA-N .
csc:FARBQUXLIQOIDY-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62581 ;
dbo:casNumber "5538-94-3" ;
dbo:formula "C18H40ClN" ;
dbo:inchi "InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctylazanium chloride"@en ;
dbo:pubchem "62581"^^xsd:int ;
dbo:smiles "CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]" ;
dbp:inchikey "InChIKey=FARBQUXLIQOIDY-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DODMAC" ;
skos:prefLabel "dioctyldimethylammoniumchloride"@nl .
csc:PMZURENOXWZQFD-UHFFFAOYSA-L
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24436 ;
dbo:casNumber "68140-10-3" , "68081-98-1" , "1337-28-6" , "67762-51-0" , "15124-09-1" , "7757-82-6" , "68412-82-8" ;
dbo:formula "Na2O4S" ;
dbo:inchi "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" ;
dbo:iupacName "Disodium sulfate"@en ;
dbo:pubchem "24436"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=PMZURENOXWZQFD-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaSO4" ;
skos:prefLabel "natriumsulfaat"@nl .
csc:CMCJNODIWQEOAI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8345 ;
dbo:casNumber "117-83-9" ;
dbo:formula "C20H30O6" ;
dbo:inchi "InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3" ;
dbo:iupacName "bis(2-butoxyethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8345"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC" ;
dbp:inchikey "InChIKey=CMCJNODIWQEOAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2C4oxC2yFt" ;
skos:prefLabel "di-(2-butoxyethyl)ftalaat"@nl .
csc:LXQOQPGNCGEELI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7321 ;
dbo:casNumber "97-02-9" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2" ;
dbo:iupacName "2,4-Dinitroaniline"@en ;
dbo:pubchem "7321"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=LXQOQPGNCGEELI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2An" ;
skos:prefLabel "2,4-dinitroaniline"@nl .
csc:CHEMONTID_0004474
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004474 ;
skos:definition "Hydrocarbons that contains only saturated carbon atoms, which are linked to one another through single bonds. These includes alkanes and cycloalkanes."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004474" ;
skos:prefLabel "Saturated hydrocarbons"@en .
csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 N, N-dimethylformamide"@nl ;
rdfs:seeAlso compound:6228 ;
dbo:casNumber "15175-77-6" , "15175-63-0" , "114057-15-7" , "33513-42-7" , "68-12-2" ;
dbo:formula "C3H7NO" ;
dbo:inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" ;
dbo:iupacName "N,N-Dimethylformamide"@en ;
dbo:pubchem "6228"^^xsd:int ;
dbo:smiles "CN(C)C=O" ;
dbp:inchikey "InChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_010 ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yfAd" ;
skos:prefLabel "dimethylformamide"@nl .
csc:VNWKTOKETHGBQD-OUBTZVSYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105026 ;
dbo:casNumber "14762-74-4" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4/i1+1" ;
dbo:iupacName "Carbane-13"@en ;
dbo:pubchem "105026"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "InChIKey=VNWKTOKETHGBQD-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13" ;
skos:prefLabel "koolstof 13"@nl .
csc:VMSRVIHUFHQIAL-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31397 ;
dbo:casNumber "122544-46-1" , "191490-26-3" , "165724-02-7" , "72140-17-1" , "128-04-1" ;
dbo:formula "C3H6NNaS2" ;
dbo:inchi "InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1" ;
dbo:iupacName "sodium dimethylaminomethanedithioate"@en ;
dbo:pubchem "31397"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].[Na+]" ;
dbp:inchikey "InChIKey=VMSRVIHUFHQIAL-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaDC1yDtocbm" ;
skos:prefLabel "natriumdimethyldithiocarbamaat"@nl .
csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28179 ;
dbo:casNumber "16984-48-8" ;
dbo:formula "F-" ;
dbo:inchi "InChI=1S/FH/h1H/p-1" ;
dbo:iupacName "fluoride"@en ;
dbo:pubchem "28179"^^xsd:int ;
dbo:smiles "[F-]" ;
dbp:inchikey "InChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-M" ;
dct:isReferencedBy co:CMA_2_II_A.14 , co:WAC_III_C_022 , co:CMA_2_II_B.1 , co:CMA_2_I_C.1.1 , co:WAC_III_C_020 , co:CMA_2_I_C.1.2 , co:CMA_2_I_C ;
skos:exactMatch wise:CAS_16984-48-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F" ;
skos:prefLabel "fluoride"@nl ;
vcs:vmmParameterId "1328"^^xsd:int , "5"^^xsd:int .
csc:CHEMONTID_0001498
skos:narrower csc:WQZGKKKJIJFFOK-UHFFFAOYSA-N , csc:VJHCJDRQFCCTHL-UHFFFAOYSA-N , csc:GZCGUPFRVQAUEE-SLPGGIOYSA-N .
csc:OZDGMOYKSFPLSE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6377 ;
dbo:casNumber "18961-44-9" , "59204-10-3" , "18961-45-0" , "75-55-8" ;
dbo:formula "C3H7N" ;
dbo:inchi "InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3" ;
dbo:iupacName "2-Methylaziridine"@en ;
dbo:pubchem "6377"^^xsd:int ;
dbo:smiles "CC1CN1" ;
dbp:inchikey "InChIKey=OZDGMOYKSFPLSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000103 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yeimne" ;
skos:prefLabel "propyleenimine"@nl .
csc:SUVIGLJNEAMWEG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7848 ;
dbo:casNumber "107-03-9" , "79869-58-2" , "51285-52-0" ;
dbo:formula "C3H8S" ;
dbo:inchi "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" ;
dbo:iupacName "Propane-1-thiol"@en ;
dbo:pubchem "7848"^^xsd:int ;
dbo:smiles "CCCS" ;
dbp:inchikey "InChIKey=SUVIGLJNEAMWEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3atol" ;
skos:prefLabel "1-propaanthiol"@nl .
csc:YYDNBUBMBZRNQQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18521 ;
dbo:casNumber "3185-99-7" ;
dbo:formula "C8H10O2S" ;
dbo:inchi "InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3" ;
dbo:iupacName "1-methyl-4-methylsulfonylbenzene"@en ;
dbo:pubchem "18521"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=YYDNBUBMBZRNQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003276 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1asfn4C1yB" ;
skos:prefLabel "1-methaansulfonyl-4-methylbenzeen"@nl .
csc:WPRAXAOJIODQJR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77193 ;
dbo:casNumber "3637-01-2" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3" ;
dbo:iupacName "1-(3,4-dimethylphenyl)ethanone"@en ;
dbo:pubchem "77193"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)C(=O)C)C" ;
dbp:inchikey "InChIKey=WPRAXAOJIODQJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yactfnn" ;
skos:prefLabel "3,4-dimethylacetofenon"@nl .
csc:JOYRKODLDBILNP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5641 ;
dbo:casNumber "121382-27-2" , "26680-22-8" , "51-79-6" ;
dbo:formula "C3H7NO2" ;
dbo:inchi "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)" ;
dbo:iupacName "Ethyl carbamate"@en ;
dbo:pubchem "5641"^^xsd:int ;
dbo:smiles "CCOC(=O)N" ;
dbp:inchikey "InChIKey=JOYRKODLDBILNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "urtn" ;
skos:prefLabel "urethaan"@nl .
csc:CHEMONTID_0000420
skos:narrower csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N , csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N , csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N , csc:HGUFODBRKLSHSI-UHFFFAOYSA-N , csc:FSPZPQQWDODWAU-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N .
csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8814 ;
dbo:casNumber "37769-53-2" , "85771-77-3" , "140-66-9" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3" ;
dbo:iupacName "4-(2,4,4-trimethylpentan-2-yl)phenol"@en ;
dbo:pubchem "8814"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=ISAVYTVYFVQUDY-UHFFFAOYSA-N" ;
skos:altLabel "4-tert-octylfenol"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_140-66-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC8yFol" ;
skos:prefLabel "4-tertiair-octylfenol"@nl ;
vcs:vmmParameterId "835"^^xsd:int .
csc:HQABUPZFAYXKJW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8007 ;
dbo:casNumber "85404-21-3" , "42939-72-0" , "50929-03-8" , "109-73-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" ;
dbo:iupacName "butan-1-amine"@en ;
dbo:pubchem "8007"^^xsd:int ;
dbo:smiles "CCCCN" ;
dbp:inchikey "InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC4a" ;
skos:prefLabel "1-aminobutaan"@nl .
csc:CHNQZRKUZPNOOH-UHFFFAOYSA-J
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91570 ;
dbo:casNumber "12656-69-8" , "172672-41-2" , "8018-01-7" ;
dbo:formula "C8H12MnN4S8Zn" ;
dbo:inchi "InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4" ;
dbo:iupacName "zinc; manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "91570"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].C(CN=C(S)[S-])N=C(S)[S-].[Mn+2].[Zn+2]" ;
dbp:inchikey "InChIKey=CHNQZRKUZPNOOH-UHFFFAOYSA-J" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manczb" ;
skos:prefLabel "mancozeb"@nl .
csc:JGKJMBOJWVAMIJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17141 ;
dbo:casNumber "2451-01-6" ;
dbo:formula "C10H22O3" ;
dbo:inchi "InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2" ;
dbo:iupacName "4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate"@en ;
dbo:pubchem "17141"^^xsd:int ;
dbo:smiles "CC1(CCC(CC1)C(C)(C)O)O.O" ;
dbp:inchikey "InChIKey=JGKJMBOJWVAMIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terpihdt" ;
skos:prefLabel "terpinhydraat"@nl .
csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:15600 ;
dbo:casNumber "73138-29-1" , "124-18-5" , "63335-87-5" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" ;
dbo:iupacName "Decane"@en ;
dbo:pubchem "15600"^^xsd:int ;
dbo:smiles "CCCCCCCCCC" ;
dbp:inchikey "InChIKey=DIOQZVSQGTUSAI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_006 , co:LUC_IV_000 ;
skos:altLabel "decaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10a" ;
skos:prefLabel "n-decaan"@nl .
csc:XIGAUIHYSDTJHW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91716 ;
dbo:casNumber "73250-68-7" ;
dbo:formula "C16H14N2O2S" ;
dbo:inchi "InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3" ;
dbo:iupacName "2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide"@en ;
dbo:pubchem "91716"^^xsd:int ;
dbo:smiles "CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "InChIKey=XIGAUIHYSDTJHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mefnct" ;
skos:prefLabel "mefenacet"@nl .
csc:WEVYAHXRMPXWCK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6342 ;
dbo:casNumber "54841-72-4" , "75-05-8" , "26809-02-9" ;
dbo:formula "C2H3N" ;
dbo:inchi "InChI=1S/C2H3N/c1-2-3/h1H3" ;
dbo:iupacName "Acetonitrile"@en ;
dbo:pubchem "6342"^^xsd:int ;
dbo:smiles "CC#N" ;
dbp:inchikey "InChIKey=WEVYAHXRMPXWCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actntl" ;
skos:prefLabel "acetonitril"@nl .
csc:YIKWKLYQRFRGPM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17110 ;
dbo:casNumber "2439-10-3" , "112-65-2" , "51426-08-5" , "15880-99-6" , "96923-04-5" ;
dbo:formula "C15H33N3O2" ;
dbo:inchi "InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 2-dodecylguanidine"@en ;
dbo:pubchem "17110"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN=C(N)N.CC(=O)O" ;
dbp:inchikey "InChIKey=YIKWKLYQRFRGPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodne" ;
skos:prefLabel "dodine"@nl .
csc:VDQQXEISLMTGAB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3641960 ;
dbo:casNumber "72793-59-0" , "1576-40-5" , "127-65-1" , "144-86-5" , "75532-46-6" , "8045-11-2" ;
dbo:formula "C7H7ClNNaO2S" ;
dbo:inchi "InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1" ;
dbo:iupacName "['sodium chloro-(4-methylphenyl)sulfonylazanide', 'sodium N-chloro-4-methylbenzenesulfonimidate']"@en ;
dbo:pubchem "3641960"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]" ;
dbp:inchikey "InChIKey=VDQQXEISLMTGAB-UHFFFAOYSA-N" ;
skos:altLabel "chlooramine-t"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClAeT" ;
skos:prefLabel "chlooramine-T"@nl .
csc:GQXSDDHYUVYJCQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:140270 ;
dbo:casNumber "17682-70-1" ;
dbo:formula "C12H20O6" ;
dbo:inchi "InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3" ;
dbo:iupacName "(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)methanol"@en ;
dbo:pubchem "140270"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C" ;
dbp:inchikey "InChIKey=GQXSDDHYUVYJCQ-UHFFFAOYSA-N" ;
skos:altLabel "diaceton-l-sorbose"@nl ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DactLsbse" ;
skos:prefLabel "diaceton-L-sorbose"@nl .
csc:COAUHYBSXMIJDK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61112 ;
dbo:casNumber "422-56-0" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" ;
dbo:iupacName "3,3-DICHLORO-1,1,1,2,2-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61112"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)F)(Cl)Cl" ;
dbp:inchikey "InChIKey=COAUHYBSXMIJDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ca" ;
skos:prefLabel "3,3-dichloor-1,1,1,2,2-pentafluorpropaan"@nl .
csc:RGSFGYAAUTVSQA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9253 ;
dbo:casNumber "68476-56-2" , "287-92-3" ;
dbo:formula "C5H10" ;
dbo:inchi "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" ;
dbo:iupacName "Cyclopentane"@en ;
dbo:pubchem "9253"^^xsd:int ;
dbo:smiles "C1CCCC1" ;
dbp:inchikey "InChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ccC5a" ;
skos:prefLabel "cyclopentaan"@nl .
csc:PNVJTZOFSHSLTO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3346 ;
dbo:casNumber "55-38-9" ;
dbo:formula "C10H15O3PS2" ;
dbo:inchi "InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "3346"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC" ;
dbp:inchikey "InChIKey=PNVJTZOFSHSLTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_55-38-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenton" ;
skos:prefLabel "fenthion"@nl ;
vcs:vmmParameterId "500"^^xsd:int .
csc:FRQMUZJSZHZSGN-HBNHAYAOSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10631 ;
dbo:casNumber "520-85-4" ;
dbo:formula "C22H32O3" ;
dbo:inchi "InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "10631"^^xsd:int ;
dbo:smiles "CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C" ;
dbp:inchikey "InChIKey=FRQMUZJSZHZSGN-HBNHAYAOSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medxprgtrn" ;
skos:prefLabel "medroxyprogesteron"@nl .
csc:PZBLUWVMZMXIKZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6785 ;
dbo:casNumber "84-72-0" ;
dbo:formula "C14H16O6" ;
dbo:inchi "InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "O1-(2-ethoxy-2-oxoethyl) O2-ethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6785"^^xsd:int ;
dbo:smiles "CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC" ;
dbp:inchikey "InChIKey=PZBLUWVMZMXIKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yFtyC2ygcl" ;
skos:prefLabel "ethyl ftalyl ethyl glycolaat"@nl .
csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8418 ;
dbo:casNumber "120-12-7" ;
dbo:formula "C14H10" ;
dbo:inchi "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" ;
dbo:iupacName "ANTHRACENE"@en ;
dbo:pubchem "8418"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C3C=CC=CC3=CC2=C1" ;
dbp:inchikey "InChIKey=MWPLVEDNUUSJAV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "antraceen"@nl ;
skos:broader csc:CHEMONTID_0000018 ;
skos:exactMatch wise:CAS_120-12-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ant" ;
skos:prefLabel "anthraceen"@nl ;
vcs:vmmParameterId "1421"^^xsd:int , "419"^^xsd:int .
csc:LGCMKPRGGJRYGM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4602 ;
dbo:casNumber "526-18-1" ;
dbo:formula "C13H11NO3" ;
dbo:inchi "InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)" ;
dbo:iupacName "2-Hydroxy-N-(4-hydroxyphenyl)benzamide"@en ;
dbo:pubchem "4602"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O" ;
dbp:inchikey "InChIKey=LGCMKPRGGJRYGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "osmd" ;
skos:prefLabel "osalmid"@nl .
csc:KXYDGGNWZUHESZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:97788 ;
dbo:casNumber "122970-84-7" , "122970-88-1" , "472-41-3" , "122970-82-5" , "35485-38-2" , "122970-86-9" , "122970-81-4" , "122970-85-8" , "122970-87-0" , "56954-97-3" , "122970-83-6" ;
dbo:formula "C18H20O2" ;
dbo:inchi "InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3" ;
dbo:iupacName "4-(2,2,4-trimethylchroman-4-yl)phenol"@en ;
dbo:pubchem "97788"^^xsd:int ;
dbo:smiles "CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C" ;
dbp:inchikey "InChIKey=KXYDGGNWZUHESZ-UHFFFAOYSA-N" ;
skos:altLabel "4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)fenol"@nl ;
skos:broader csc:CHEMONTID_0002581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "434DH224TC1y" ;
skos:prefLabel "4-(3,4-dihydro-2,2,4-trimethyl-2h-1-benzopyran-4-yl)fenol"@nl .
csc:WERYXYBDKMZEQL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8064 ;
dbo:casNumber "732189-03-6" , "28324-25-6" , "110-63-4" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" ;
dbo:iupacName "Butane-1,4-diol"@en ;
dbo:pubchem "8064"^^xsd:int ;
dbo:smiles "C(CCO)CO" ;
dbp:inchikey "InChIKey=WERYXYBDKMZEQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDol" ;
skos:prefLabel "1,4-butaandiol"@nl .
csc:GGYKPYDKXLHNTI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12523 ;
dbo:casNumber "638-36-8" ;
dbo:formula "C20H42" ;
dbo:inchi "InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3" ;
dbo:iupacName "2,6,10,14-TETRAMETHYLHEXADECANE"@en ;
dbo:pubchem "12523"^^xsd:int ;
dbo:smiles "CCC(C)CCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=GGYKPYDKXLHNTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "261014T4C102" ;
skos:prefLabel "2,6,10,14-tetramethylhexadecaan"@nl .
csc:SXFLURRQRFKBNN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63101 ;
dbo:casNumber "70362-49-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-2-7(4-9)8-5-10(14)12(16)11(15)6-8/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-5-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "63101"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SXFLURRQRFKBNN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB78" ;
skos:prefLabel "3,3',4,5-tetrachloorbifenyl"@nl .
csc:RSJKGSCJYJTIGS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14257 ;
dbo:casNumber "1120-21-4" , "61193-21-3" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" ;
dbo:iupacName "Undecane"@en ;
dbo:pubchem "14257"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC" ;
dbp:inchikey "InChIKey=RSJKGSCJYJTIGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11a" ;
skos:prefLabel "undecaan"@nl .
csc:RGCVKNLCSQQDEP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4748 ;
dbo:casNumber "58-39-9" ;
dbo:formula "C21H26ClN3OS" ;
dbo:inchi "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2" ;
dbo:iupacName "2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "4748"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO" ;
dbp:inchikey "InChIKey=RGCVKNLCSQQDEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perfazne" ;
skos:prefLabel "perfenazine"@nl .
csc:DPJCXCZTLWNFOH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6946 ;
dbo:casNumber "88-74-4" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "2-Nitroaniline"@en ;
dbo:pubchem "6946"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=DPJCXCZTLWNFOH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2An" ;
skos:prefLabel "2-nitroaniline"@nl .
csc:QUYFPNWYGLFQQU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93071 ;
dbo:casNumber "13151-35-4" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3" ;
dbo:iupacName "5-Methyldecane"@en ;
dbo:pubchem "93071"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCCC" ;
dbp:inchikey "InChIKey=QUYFPNWYGLFQQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yC10a" ;
skos:prefLabel "5-methyldecaan"@nl .
csc:UQJQVUOTMVCFHX-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8891 ;
dbo:casNumber "111-54-6" , "142-59-6" ;
dbo:formula "C4H6N2Na2S4" ;
dbo:inchi "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2" ;
dbo:iupacName "disodium [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "8891"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=UQJQVUOTMVCFHX-UHFFFAOYSA-L" ;
skos:altLabel "ethyleenbisdithiocarbamaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yebDtocbmt" , "nabm" ;
skos:prefLabel "nabam"@nl .
csc:UHGULLIUJBCTEF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8706 ;
dbo:casNumber "120045-46-7" , "35858-53-8" , "136-95-8" ;
dbo:formula "C7H6N2S" ;
dbo:inchi "InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)" ;
dbo:iupacName "1,3-benzothiazol-2-amine"@en ;
dbo:pubchem "8706"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)N" ;
dbp:inchikey "InChIKey=UHGULLIUJBCTEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aobztzl" ;
skos:prefLabel "2-aminobenzothiazool"@nl .
csc:MQIUGAXCHLFZKX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8346 ;
dbo:casNumber "117-84-0" , "68515-43-5" , "8031-29-6" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3" ;
dbo:iupacName "dioctyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8346"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC" ;
dbp:inchikey "InChIKey=MQIUGAXCHLFZKX-UHFFFAOYSA-N" ;
skos:altLabel "di-n-octylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC8yFt" ;
skos:prefLabel "dioctylftalaat"@nl .
csc:GECHUMIMRBOMGK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5336 ;
dbo:casNumber "144-83-2" ;
dbo:formula "C11H11N3O2S" ;
dbo:inchi "InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)" ;
dbo:iupacName "4-amino-N-pyridin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5336"^^xsd:int ;
dbo:smiles "C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=GECHUMIMRBOMGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfprdne" ;
skos:prefLabel "sulfapyridine"@nl .
csc:PAAZPARNPHGIKF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7839 ;
dbo:casNumber "106-93-4" , "624-61-3" , "8003-07-4" ;
dbo:formula "C2H4Br2" ;
dbo:inchi "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" ;
dbo:iupacName "['1,2-dibromoethyne', '1,2-Dibromoethane']"@en ;
dbo:pubchem "7839"^^xsd:int ;
dbo:smiles "C(CBr)Br" ;
dbp:inchikey "InChIKey=PAAZPARNPHGIKF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:broader csc:CHEMONTID_0001515 ;
skos:exactMatch wise:CAS_106-93-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBrC2a" ;
skos:prefLabel "1,2-dibroomethaan"@nl ;
vcs:vmmParameterId "471"^^xsd:int .
csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462311 ;
dbo:casNumber "7440-42-8" ;
dbo:formula "B" ;
dbo:inchi "InChI=1S/B" ;
dbo:iupacName "Boron"@en ;
dbo:pubchem "5462311"^^xsd:int ;
dbo:smiles "[B]" ;
dbp:inchikey "InChIKey=ZOXJGFHDIHLPTG-UHFFFAOYSA-N" ;
skos:altLabel "boor, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:exactMatch wise:CAS_7440-42-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "B" ;
skos:prefLabel "boor"@nl ;
vcs:vmmParameterId "1989"^^xsd:int , "144"^^xsd:int , "145"^^xsd:int , "146"^^xsd:int , "1921"^^xsd:int .
csc:VRBKIVRKKCLPHA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4449 ;
dbo:casNumber "83366-66-9" ;
dbo:formula "C25H32ClN5O2" ;
dbo:inchi "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3" ;
dbo:iupacName "2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "4449"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl" ;
dbp:inchikey "InChIKey=VRBKIVRKKCLPHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nefzdne" ;
skos:prefLabel "nefazodone"@nl .
csc:VKYKSIONXSXAKP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4101 ;
dbo:casNumber "56549-34-9" , "100-97-0" , "15978-33-3" , "24911-88-4" , "74734-16-0" , "11103-67-6" , "91773-48-7" ;
dbo:formula "C6H12N4" ;
dbo:inchi "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2" ;
dbo:iupacName "1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane"@en ;
dbo:pubchem "4101"^^xsd:int ;
dbo:smiles "C1N2CN3CN1CN(C2)C3" ;
dbp:inchikey "InChIKey=VKYKSIONXSXAKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yeT4Ae" ;
skos:prefLabel "hexamethyleentetramine (Urotropine)"@nl .
csc:CHEMONTID_0003205
skos:narrower csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N .
csc:KFSLACSYHBJOPS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
dbo:casNumber "900-95-8" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3;" ;
dbo:iupacName "tri(phenyl)stannyl acetate"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=KFSLACSYHBJOPS-UHFFFAOYSA-N" ;
skos:altLabel "trifenyltinacetaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentactt" ;
skos:prefLabel "fentinacetaat"@nl .
csc:CHEMONTID_0000229
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000229 ;
skos:definition "Heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JUIQOABNSLTJSW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000229" ;
skos:prefLabel "Thiazolines"@en .
csc:FITIWKDOCAUBQD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36870 ;
dbo:casNumber "34643-46-4" , "64772-54-9" ;
dbo:formula "C11H15Cl2O2PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3" ;
dbo:iupacName "(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "36870"^^xsd:int ;
dbo:smiles "CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=FITIWKDOCAUBQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protofs" ;
skos:prefLabel "prothiofos"@nl .
csc:ALZOLUNSQWINIR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91749 ;
dbo:casNumber "90717-03-6" ;
dbo:formula "C11H8ClNO2" ;
dbo:inchi "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" ;
dbo:iupacName "7-Chloro-3-methylquinoline-8-carboxylic acid"@en ;
dbo:pubchem "91749"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1" ;
dbp:inchikey "InChIKey=ALZOLUNSQWINIR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinmrc" ;
skos:prefLabel "quinmerac"@nl .
csc:VBCVPMMZEGZULK-NRFANRHFSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:107720 ;
dbo:casNumber "174060-41-4" , "173584-44-6" ;
dbo:formula "C22H17ClF3N3O7" ;
dbo:inchi "InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1" ;
dbo:iupacName "methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate"@en ;
dbo:pubchem "107720"^^xsd:int ;
dbo:smiles "COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl" ;
dbp:inchikey "InChIKey=VBCVPMMZEGZULK-NRFANRHFSA-N" ;
skos:altLabel "indoxacarb (s-isomeer)"@nl ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indxcb" ;
skos:prefLabel "indoxacarb (S-isomeer)"@nl .
csc:LNDUTAIPEYOCDF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41736 ;
dbo:casNumber "56073-10-0" , "80449-88-3" ;
dbo:formula "C31H23BrO3" ;
dbo:inchi "InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one"@en ;
dbo:pubchem "41736"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br" ;
dbp:inchikey "InChIKey=LNDUTAIPEYOCDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brodfcm" ;
skos:prefLabel "brodifacum"@nl .
csc:PZBPKYOVPCNPJY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37175 ;
dbo:casNumber "35554-44-0" ;
dbo:formula "C14H14Cl2N2O" ;
dbo:inchi "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole"@en ;
dbo:pubchem "37175"^^xsd:int ;
dbo:smiles "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=PZBPKYOVPCNPJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzll" ;
skos:prefLabel "imazalil"@nl .
csc:CHEMONTID_0000372
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000372 ;
skos:definition "Compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PJMPHNIQZUBGLI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000372" ;
skos:prefLabel "Fentanyls"@en .
csc:NFGXHKASABOEEW-LDRANXPESA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5366546 ;
dbo:casNumber "40596-69-8" , "52020-07-2" , "208035-61-4" , "36557-27-4" , "208035-62-5" , "41205-06-5" , "65733-16-6" , "134678-54-9" ;
dbo:formula "C19H34O3" ;
dbo:inchi "InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+" ;
dbo:iupacName "['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate']"@en ;
dbo:pubchem "5366546"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC" ;
dbp:inchikey "InChIKey=NFGXHKASABOEEW-LDRANXPESA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpn" ;
skos:prefLabel "methopreen"@nl .
csc:JDMFXJULNGEPOI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11846 ;
dbo:casNumber "608-31-1" , "51225-19-5" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2" ;
dbo:iupacName "2,6-DICHLOROANILINE"@en ;
dbo:pubchem "11846"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)N)Cl" ;
dbp:inchikey "InChIKey=JDMFXJULNGEPOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_608-31-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClAn" ;
skos:prefLabel "2,6-dichlooraniline"@nl ;
vcs:vmmParameterId "46"^^xsd:int .
csc:CHEMONTID_0004347
skos:narrower csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N .
csc:JQRZBPFGBRIWSN-YOTVLOEGSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:56329 ;
dbo:casNumber "88768-40-5" , "92077-78-6" ;
dbo:formula "C22H33N3O6" ;
dbo:inchi "InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1" ;
dbo:iupacName "(1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid hydrate"@en ;
dbo:pubchem "56329"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.O" ;
dbp:inchikey "InChIKey=JQRZBPFGBRIWSN-YOTVLOEGSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cilzpl" ;
skos:prefLabel "cilazapril"@nl .
csc:CUTPKDUMZWIJKT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94258 ;
dbo:casNumber "3330-15-2" ;
dbo:formula "C5HF11O" ;
dbo:inchi "InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H" ;
dbo:iupacName "1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane"@en ;
dbo:pubchem "94258"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F" ;
dbp:inchikey "InChIKey=CUTPKDUMZWIJKT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F7C3yF4C2yEt" ;
skos:prefLabel "heptafluorpropyl 1,2,2,2-tetrafluorethylether"@nl .
csc:KVFIJIWMDBAGDP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26331 ;
dbo:casNumber "1392-50-3" , "13925-00-3" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3" ;
dbo:iupacName "2-ETHYLPYRAZINE"@en ;
dbo:pubchem "26331"^^xsd:int ;
dbo:smiles "CCC1=NC=CN=C1" ;
dbp:inchikey "InChIKey=KVFIJIWMDBAGDP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yprzne" ;
skos:prefLabel "2-ethylpyrazine"@nl .
csc:JYCQQPHGFMYQCF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5590 ;
dbo:casNumber "81398-86-9" , "13463-07-5" , "9077-65-0" , "39409-11-5" , "2315-67-5" , "111287-03-7" , "9010-43-9" , "66057-82-7" , "66057-69-0" , "9010-42-8" , "9002-93-1" , "63869-93-2" , "125692-92-4" , "66057-68-9" ;
dbo:formula "C16H26O2" ;
dbo:inchi "InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3" ;
dbo:iupacName "2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol"@en ;
dbo:pubchem "5590"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO" ;
dbp:inchikey "InChIKey=JYCQQPHGFMYQCF-UHFFFAOYSA-N" ;
skos:altLabel "triton x-100"@nl , "octoxynol-1"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octxnl1" , "tritx100" ;
skos:prefLabel "triton X-100"@nl .
csc:IKHGUXGNUITLKF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:177 ;
dbo:casNumber "75-07-0" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3/h2H,1H3" ;
dbo:iupacName "acetaldehyde"@en ;
dbo:pubchem "177"^^xsd:int ;
dbo:smiles "CC=O" ;
dbp:inchikey "InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N" ;
skos:altLabel "ethanal"@nl , "acetaldehyde "@nl ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2al" ;
skos:prefLabel "acetaldehyde"@nl .
csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19520 ;
dbo:casNumber "29555-44-0" , "39765-80-5" , "3734-49-4" , "24143-69-9" , "5103-73-1" ;
dbo:formula "C10H5Cl9" ;
dbo:inchi "InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H" ;
dbo:iupacName "1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "19520"^^xsd:int ;
dbo:smiles "C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OCHOKXCPKDPNQU-UHFFFAOYSA-N" ;
skos:altLabel "trans-nonachloor"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_39765-80-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tNnCl" , "cNnCl" ;
skos:prefLabel "cis-nonachloor"@nl ;
vcs:vmmParameterId "2091"^^xsd:int .
csc:OIQRYZXXBZHDRY-NNIZZXHBSA-L
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6321395 ;
dbo:casNumber "7481-49-4" , "64553-71-5" , "3761-53-3" ;
dbo:formula "C18H14N2Na2O7S2" ;
dbo:inchi "InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-9-13(28(22,23)24)5-4-12(14)8-16(18(17)21)29(25,26)27;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17+;;" ;
dbo:iupacName "disodium (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,6-disulfonate"@en ;
dbo:pubchem "6321395"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=OIQRYZXXBZHDRY-NNIZZXHBSA-L" ;
skos:altLabel "c.i. food red 5"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cifrd5" ;
skos:prefLabel "C.I. Food Red 5"@nl .
csc:ZGCHATBSUIJLRL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24842 ;
dbo:casNumber "10034-93-2" , "13464-80-7" , "1184-66-3" , "95416-15-2" ;
dbo:formula "H6N2O4S" ;
dbo:inchi "InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)" ;
dbo:iupacName "hydrazine; sulfuric acid"@en ;
dbo:pubchem "24842"^^xsd:int ;
dbo:smiles "NN.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=ZGCHATBSUIJLRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydznSO4" ;
skos:prefLabel "hydrazinesulfaat"@nl .
csc:DNIAPMSPPWPWGF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1030 ;
dbo:casNumber "4254-16-4" , "4254-15-3" , "190913-75-8" , "57-55-6" , "63625-56-9" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" ;
dbo:iupacName "PROPANE-1,2-DIOL"@en ;
dbo:pubchem "1030"^^xsd:int ;
dbo:smiles "CC(CO)O" ;
dbp:inchikey "InChIKey=DNIAPMSPPWPWGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C3yegcl" ;
skos:prefLabel "1,2-propyleenglycol"@nl .
csc:VHQQPFLOGSTQPC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12413 ;
dbo:casNumber "630-07-9" ;
dbo:formula "C35H72" ;
dbo:inchi "InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3" ;
dbo:iupacName "Pentatriacontane"@en ;
dbo:pubchem "12413"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=VHQQPFLOGSTQPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C35a" ;
skos:prefLabel "pentatriacontaan"@nl .
csc:NPOJQCVWMSKXDN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2943 ;
dbo:casNumber "87209-56-1" , "65862-98-8" , "1861-32-1" ;
dbo:formula "C10H6Cl4O4" ;
dbo:inchi "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" ;
dbo:iupacName "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate"@en ;
dbo:pubchem "2943"^^xsd:int ;
dbo:smiles "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" ;
dbp:inchikey "InChIKey=NPOJQCVWMSKXDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltDC1y" ;
skos:prefLabel "chloorthal-dimethyl"@nl .
csc:WNMLTOIDDCEBNY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:118274 ;
dbo:casNumber "36065-30-2" ;
dbo:formula "C10H9Br5O" ;
dbo:inchi "InChI=1S/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3" ;
dbo:iupacName "1,3,5-Tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene"@en ;
dbo:pubchem "118274"^^xsd:int ;
dbo:smiles "CC(COC1=C(C=C(C=C1Br)Br)Br)(CBr)Br" ;
dbp:inchikey "InChIKey=WNMLTOIDDCEBNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TBr223DBr" ;
skos:prefLabel "1,3,5-tribroom-2-(2,3-dibroom-2-methylpropoxy)benzeen"@nl .
csc:CHEMONTID_0000208
skos:narrower csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N , csc:BGRDGMRNKXEXQD-UHFFFAOYSA-N .
csc:IOUNQDKNJZEDEP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4793 ;
dbo:casNumber "2310-17-0" , "29562-46-7" , "54182-71-7" , "11129-09-2" ;
dbo:formula "C12H15ClNO4PS2" ;
dbo:inchi "InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" ;
dbo:iupacName "6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one"@en ;
dbo:pubchem "4793"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O" ;
dbp:inchikey "InChIKey=IOUNQDKNJZEDEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001973 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosln" ;
skos:prefLabel "fosalon"@nl .
csc:CHEMONTID_0004809
skos:narrower csc:QCAHVKJGHYVLIS-UHFFFAOYSA-N , csc:BULLHNJGPPOUOX-UHFFFAOYSA-N .
csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6568 ;
dbo:casNumber "4221-99-2" , "15892-23-6" , "78-92-2" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "Butan-2-ol"@en ;
dbo:pubchem "6568"^^xsd:int ;
dbo:smiles "CCC(C)O" ;
dbp:inchikey "InChIKey=BTANRVKWQNVYAZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_009 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:altLabel "s-butanol"@nl ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4ol" ;
skos:prefLabel "2-butanol"@nl .
csc:RXDMAYSSBPYBFW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153847 ;
dbo:casNumber "104030-54-8" ;
dbo:formula "C15H18Cl3NO" ;
dbo:inchi "InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)" ;
dbo:iupacName "2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide"@en ;
dbo:pubchem "153847"^^xsd:int ;
dbo:smiles "CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=RXDMAYSSBPYBFW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carppAd" ;
skos:prefLabel "carpropamide"@nl .
csc:CHEMONTID_0002100
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002100 ;
skos:definition "Organic compounds containing a benzene ring fused to a dioxin ring. Dioxin a six-membered unsaturated ring of two oxygen atoms and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002100" ;
skos:prefLabel "Benzodioxins"@en .
csc:DTDSAWVUFPGDMX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:177863 ;
dbo:casNumber "148477-71-8" ;
dbo:formula "C21H24Cl2O4" ;
dbo:inchi "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3" ;
dbo:iupacName "[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate"@en ;
dbo:pubchem "177863"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=DTDSAWVUFPGDMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirdcfn" ;
skos:prefLabel "spirodiclofen"@nl .
csc:URDNHJIVMYZFRT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:53309 ;
dbo:casNumber "75432-64-3" , "66345-62-8" , "75736-33-3" , "83940-00-5" ;
dbo:formula "C15H19Cl2N3O" ;
dbo:inchi "InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3" ;
dbo:iupacName "1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol"@en ;
dbo:pubchem "53309"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=URDNHJIVMYZFRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcbtzl" ;
skos:prefLabel "diclobutrazool"@nl .
csc:VJYIFXVZLXQVHO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47491 ;
dbo:casNumber "64902-72-3" , "79793-04-7" , "112143-77-8" ;
dbo:formula "C12H12ClN5O4S" ;
dbo:inchi "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" ;
dbo:iupacName "1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea"@en ;
dbo:pubchem "47491"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl" ;
dbp:inchikey "InChIKey=VJYIFXVZLXQVHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clsfrn" ;
skos:prefLabel "chloorsulfuron"@nl .
csc:LHRIICYSGQGXSX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19052 ;
dbo:casNumber "3531-19-9" ;
dbo:formula "C6H4ClN3O4" ;
dbo:inchi "InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2" ;
dbo:iupacName "2-Chloro-4,6-dinitroaniline"@en ;
dbo:pubchem "19052"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=LHRIICYSGQGXSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6Cl24DNO2An" ;
skos:prefLabel "6-chloor-2,4-dinitroaniline"@nl .
csc:VHLKTXFWDRXILV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:176879 ;
dbo:casNumber "149877-41-8" ;
dbo:formula "C17H20N2O3" ;
dbo:inchi "InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)" ;
dbo:iupacName "propan-2-yl N-[(2-methoxy-5-phenylphenyl)amino]carbamate"@en ;
dbo:pubchem "176879"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC" ;
dbp:inchikey "InChIKey=VHLKTXFWDRXILV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bifnzt" ;
skos:prefLabel "bifenazaat"@nl .
csc:DBUXSCUEGJMZAE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6860 ;
dbo:casNumber "22967-92-6" ;
dbo:formula "CH3Hg+" ;
dbo:inchi "InChI=1S/CH3.Hg/h1H3;/q;+1" ;
dbo:iupacName "Methylmercury"@en ;
dbo:pubchem "6860"^^xsd:int ;
dbo:smiles "C[Hg+]" ;
dbp:inchikey "InChIKey=DBUXSCUEGJMZAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004443 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yHg" ;
skos:prefLabel "methylkwik"@nl .
csc:VOWZNBNDMFLQGM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7259 ;
dbo:casNumber "95-78-3" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,5-Dimethylaniline"@en ;
dbo:pubchem "7259"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)N" ;
dbp:inchikey "InChIKey=VOWZNBNDMFLQGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25xyldne" ;
skos:prefLabel "2,5-xylidine"@nl .
csc:HXNFUBHNUDHIGC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4644 ;
dbo:casNumber "2465-59-0" ;
dbo:formula "C5H4N4O2" ;
dbo:inchi "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)" ;
dbo:iupacName "1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione"@en ;
dbo:pubchem "4644"^^xsd:int ;
dbo:smiles "C1=C2C(=NC(=O)NC2=O)NN1" ;
dbp:inchikey "InChIKey=HXNFUBHNUDHIGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxprnl" ;
skos:prefLabel "oxypurinol"@nl .
csc:XLYOFNOQVPJJNP-ZSJDYOACSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24602 ;
dbo:casNumber "156428-50-1" , "39388-36-8" , "7789-20-0" ;
dbo:formula "H2O" ;
dbo:inchi "InChI=1S/H2O/h1H2/i/hD2" ;
dbo:iupacName "deuterated water"@en ;
dbo:pubchem "24602"^^xsd:int ;
dbo:smiles "O" ;
dbp:inchikey "InChIKey=XLYOFNOQVPJJNP-ZSJDYOACSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2O" ;
skos:prefLabel "deuterium oxide (zwaar water)"@nl .
csc:XEZVDURJDFGERA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17085 ;
dbo:casNumber "93966-37-1" , "98978-62-2" , "2433-96-7" , "94087-10-2" ;
dbo:formula "C23H46O2" ;
dbo:inchi "InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)" ;
dbo:iupacName "TRICOSANOIC ACID"@en ;
dbo:pubchem "17085"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=XEZVDURJDFGERA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C23azr" ;
skos:prefLabel "tricosaanzuur"@nl .
csc:IHPXJGBVRWFEJB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19944 ;
dbo:casNumber "4032-93-3" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3" ;
dbo:iupacName "2,3,6-TRIMETHYLHEPTANE"@en ;
dbo:pubchem "19944"^^xsd:int ;
dbo:smiles "CC(C)CCC(C)C(C)C" ;
dbp:inchikey "InChIKey=IHPXJGBVRWFEJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TC1yC7a" ;
skos:prefLabel "2,3,6-trimethylheptaan"@nl .
csc:AMHNZOICSMBGDH-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8873 ;
dbo:casNumber "9006-42-2" , "12122-67-7" ;
dbo:formula "C4H6N2S4Zn" ;
dbo:inchi "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" ;
dbo:iupacName "zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "8873"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]" ;
dbp:inchikey "InChIKey=AMHNZOICSMBGDH-UHFFFAOYSA-L" ;
skos:altLabel "zineb"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metrm" , "zinb" ;
skos:prefLabel "metiram"@nl .
csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5757 ;
dbo:casNumber "50-28-2" , "73459-61-7" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "5757"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N" ;
skos:altLabel "17beta-estradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_50-28-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17bestDol" ;
skos:prefLabel "17-beta-estradiol"@nl ;
vcs:vmmParameterId "964"^^xsd:int .
csc:CHEMONTID_0000330
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000330 ;
skos:definition "Compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UVCJGUGAGLDPAA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000330" ;
skos:prefLabel "Phenylbenzimidazoles"@en .
csc:KSQXVLVXUFHGJQ-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8587 ;
dbo:casNumber "132-27-4" , "6152-33-6" ;
dbo:formula "C12H9NaO" ;
dbo:inchi "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" ;
dbo:iupacName "sodium 2-phenylphenolate"@en ;
dbo:pubchem "8587"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" ;
dbp:inchikey "InChIKey=KSQXVLVXUFHGJQ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaoFyfnt" ;
skos:prefLabel "natrium-ortho-fenylfenaat"@nl .
csc:WEAYCYAIVOIUMG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:69030 ;
dbo:casNumber "599-66-6" ;
dbo:formula "C14H14O2S" ;
dbo:inchi "InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-4-(4-methylphenyl)sulfonylbenzene"@en ;
dbo:pubchem "69030"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C" ;
dbp:inchikey "InChIKey=WEAYCYAIVOIUMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003276 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y44C1yBen" ;
skos:prefLabel "1-methyl-4-(4-methylbenzeensulfonyl) benzeen"@nl .
csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37037 ;
dbo:casNumber "35065-30-6" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "37037"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RMPWIIKNWPVWNG-UHFFFAOYSA-N" ;
skos:altLabel "2,2',3,3',4,4',5-heptachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-30-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB170" ;
skos:prefLabel "2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)"@nl ;
vcs:vmmParameterId "759"^^xsd:int .
csc:HCRWJJJUKUVORR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13904 ;
dbo:casNumber "1014-69-3" ;
dbo:formula "C8H15N5S" ;
dbo:inchi "InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13904"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)NC)SC" ;
dbp:inchikey "InChIKey=HCRWJJJUKUVORR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_1014-69-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desmtn" ;
skos:prefLabel "desmetryn"@nl ;
vcs:vmmParameterId "529"^^xsd:int .
csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:154083 ;
dbo:casNumber "189084-64-8" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H" ;
dbo:iupacName "1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "154083"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)Br" ;
dbp:inchikey "InChIKey=NSKIRYMHNFTRLR-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4',6-pentabroomdifenylether (bde100)"@nl , "2,2',4,4',6-pentabroomdifenylether"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_189084-64-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE100" ;
skos:prefLabel "bde 100"@nl ;
vcs:vmmParameterId "934"^^xsd:int .
csc:CHEMONTID_0000245
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000245 ;
skos:definition "Aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000245" ;
skos:prefLabel "Purines and purine derivatives"@en .
csc:FALCMQXTWHPRIH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6565 ;
dbo:casNumber "78-88-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" ;
dbo:iupacName "2,3-dichloroprop-1-ene"@en ;
dbo:pubchem "6565"^^xsd:int ;
dbo:smiles "C=C(CCl)Cl" ;
dbp:inchikey "InChIKey=FALCMQXTWHPRIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_78-88-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClC3e" ;
skos:prefLabel "2,3-dichloorpropeen"@nl ;
vcs:vmmParameterId "343"^^xsd:int .
csc:MNHVNIJQQRJYDH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6451142 ;
dbo:casNumber "178928-70-6" ;
dbo:formula "C14H15Cl2N3OS" ;
dbo:inchi "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" ;
dbo:iupacName "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione"@en ;
dbo:pubchem "6451142"^^xsd:int ;
dbo:smiles "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" ;
dbp:inchikey "InChIKey=MNHVNIJQQRJYDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocnzl" ;
skos:prefLabel "prothioconazool"@nl .
csc:OHSVLFRHMCKCQY-NJFSPNSNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161046 ;
dbo:casNumber "14265-75-9" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu/i1+2" ;
dbo:iupacName "lutetium-177"@en ;
dbo:pubchem "161046"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "InChIKey=OHSVLFRHMCKCQY-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu177" ;
skos:prefLabel "lutetium 177"@nl .
csc:CKRXVVGETMYFIO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18134 ;
dbo:casNumber "1336-61-4" , "2991-50-6" ;
dbo:formula "C12H8F17NO4S" ;
dbo:inchi "InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)" ;
dbo:iupacName "2-(ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino)acetic acid"@en ;
dbo:pubchem "18134"^^xsd:int ;
dbo:smiles "CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=CKRXVVGETMYFIO-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaansulfonylamide(N-ethyl)azijnzuur"@nl , "N-ethylperfluoroctaansulfonamido-azijnzuur"@nl , "n-ethylperfluoroctaansulfonamidoazijnzuur"@nl , "n-ethylperfluor-n-octaansulfonamido-azijnzuur (etpfosaa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EtFOSAA" ;
skos:prefLabel "n-ethylperfluor-n-octaansulfonamido-azijnzuur"@nl .
csc:ZNQOETZUGRUONW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41088 ;
dbo:casNumber "54446-78-5" ;
dbo:formula "C8H18O3" ;
dbo:inchi "InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "1-(2-BUTOXYETHOXY)ETHANOL"@en ;
dbo:pubchem "41088"^^xsd:int ;
dbo:smiles "CCCCOCCOC(C)O" ;
dbp:inchikey "InChIKey=ZNQOETZUGRUONW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C4oxC2oxC2" ;
skos:prefLabel "1-(2-butoxyethoxy)-ethanol"@nl .
csc:JCXGWMGPZLAOME-OIOBTWANSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336623 ;
dbo:casNumber "15776-19-9" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1-3" ;
dbo:iupacName "bismuth-206"@en ;
dbo:pubchem "6336623"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi206" ;
skos:prefLabel "bismuth 206"@nl .
csc:SNICXCGAKADSCV-JTQLQIEISA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:89594 ;
dbo:casNumber "54-11-5" ;
dbo:formula "C10H14N2" ;
dbo:inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" ;
dbo:iupacName "3-[(2S)-1-methylpyrrolidin-2-yl]pyridine"@en ;
dbo:pubchem "89594"^^xsd:int ;
dbo:smiles "CN1CCCC1C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=SNICXCGAKADSCV-JTQLQIEISA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nictne" ;
skos:prefLabel "nicotine"@nl .
csc:BMTAFVWTTFSTOG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16181 ;
dbo:casNumber "2008-41-5" ;
dbo:formula "C11H23NOS" ;
dbo:inchi "InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3" ;
dbo:iupacName "S-ethyl (bis(2-methylpropyl)amino)methanethioate"@en ;
dbo:pubchem "16181"^^xsd:int ;
dbo:smiles "CCSC(=O)N(CC(C)C)CC(C)C" ;
dbp:inchikey "InChIKey=BMTAFVWTTFSTOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yat" ;
skos:prefLabel "butylaat"@nl .
csc:NJMYODHXAKYRHW-DVZOWYKESA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281881 ;
dbo:casNumber "2709-56-0" , "53772-82-0" ;
dbo:formula "C23H25F3N2OS" ;
dbo:inchi "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-" ;
dbo:iupacName "2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "5281881"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO" ;
dbp:inchikey "InChIKey=NJMYODHXAKYRHW-DVZOWYKESA-N" ;
skos:broader csc:CHEMONTID_0000199 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluptxl" ;
skos:prefLabel "flupentixol"@nl .
csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6327 ;
dbo:casNumber "2108-20-5" , "74-87-3" ;
dbo:formula "CH3Cl" ;
dbo:inchi "InChI=1S/CH3Cl/c1-2/h1H3" ;
dbo:iupacName "Chloromethane"@en ;
dbo:pubchem "6327"^^xsd:int ;
dbo:smiles "CCl" ;
dbp:inchikey "InChIKey=NEHMKBQYUWJMIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-87-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC1a" ;
skos:prefLabel "chloormethaan"@nl ;
vcs:vmmParameterId "375"^^xsd:int .
csc:ZQDWXGKKHFNSQK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3658 ;
dbo:casNumber "68-88-2" ;
dbo:formula "C21H27ClN2O2" ;
dbo:inchi "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2" ;
dbo:iupacName "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol"@en ;
dbo:pubchem "3658"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hoxzne" ;
skos:prefLabel "hydroxyzine"@nl .
csc:BOTWFXYSPFMFNR-PYDDKJGSSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280435 ;
dbo:casNumber "5016-81-9" , "7541-49-3" , "150-86-7" ;
dbo:formula "C20H40O" ;
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1" ;
dbo:iupacName "(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol"@en ;
dbo:pubchem "5280435"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C" ;
dbp:inchikey "InChIKey=BOTWFXYSPFMFNR-PYDDKJGSSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fytl" ;
skos:prefLabel "fytol"@nl .
csc:CHEMONTID_0000224
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000224 ;
skos:definition "Cyclic organic compounds containing a thiadiazine ring, which is a six-member unsaturated heterocycle made up of one sulfur atom and two nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000224" ;
skos:prefLabel "Thiadiazines"@en .
csc:WABPQHHGFIMREM-BKFZFHPZSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335491 ;
dbo:casNumber "18879-28-2" , "15092-94-1" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+5" ;
dbo:iupacName "lead-212"@en ;
dbo:pubchem "6335491"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "InChIKey=WABPQHHGFIMREM-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb212" ;
skos:prefLabel "lood 212"@nl .
csc:CHEMONTID_0003194
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003194 ;
skos:definition "Organic compounds containing a C[Si] bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003194" ;
skos:prefLabel "Organosilicon compounds"@en .
csc:BCTQJXQXJVLSIG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41632 ;
dbo:casNumber "55814-41-0" ;
dbo:formula "C17H19NO2" ;
dbo:inchi "InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)" ;
dbo:iupacName "2-methyl-N-(3-propan-2-yloxyphenyl)benzamide"@en ;
dbo:pubchem "41632"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C" ;
dbp:inchikey "InChIKey=BCTQJXQXJVLSIG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepnl" ;
skos:prefLabel "mepronil"@nl .
csc:RHSGYAYYVYMXIF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16204498 ;
dbo:casNumber "12008-41-2" , "12280-03-4" ;
dbo:formula "B8H8Na2O28-22" ;
dbo:inchi "InChI=1S/8BO3.2Na.4H2O/c8*2-1(3)4;;;;;;/h;;;;;;;;;;4*1H2/q8*-3;2*+1;;;;" ;
dbo:iupacName "Disodium octaborate tetrahydrate"@en ;
dbo:pubchem "16204498"^^xsd:int ;
dbo:smiles "B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].O.O.O.O.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=RHSGYAYYVYMXIF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000895 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2B8O13" ;
skos:prefLabel "dinatriumoctaboraat"@nl .
csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7771 ;
dbo:casNumber "105-67-9" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" ;
dbo:iupacName "2,4-Dimethylphenol"@en ;
dbo:pubchem "7771"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)O)C" ;
dbp:inchikey "InChIKey=KUFFULVDNCHOFZ-UHFFFAOYSA-N" ;
skos:altLabel "2,4-xylenol "@nl , "2,4-dimethylfenol"@nl ;
skos:broader csc:CHEMONTID_0004212 ;
skos:exactMatch wise:CAS_105-67-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yFol" ;
skos:prefLabel "2,4-xylenol"@nl ;
vcs:vmmParameterId "207"^^xsd:int .
csc:SHOJXDKTYKFBRD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8858 ;
dbo:casNumber "141-79-7" ;
dbo:formula "C6H10O" ;
dbo:inchi "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" ;
dbo:iupacName "4-Methylpent-3-en-2-one"@en ;
dbo:pubchem "8858"^^xsd:int ;
dbo:smiles "CC(=CC(=O)C)C" ;
dbp:inchikey "InChIKey=SHOJXDKTYKFBRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mestoxde" ;
skos:prefLabel "mesityloxide"@nl .
csc:IYJYQHRNMMNLRH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14766 ;
dbo:casNumber "162264-71-3" , "7758-17-0" , "12393-50-9" , "12598-12-8" , "180395-80-6" , "1302-42-7" , "11138-49-1" ;
dbo:formula "AlNaO2" ;
dbo:inchi "InChI=1S/Al.Na.2O/q-1;+1;;" ;
dbo:iupacName "sodium;dioxoalumanuide"@en ;
dbo:pubchem "14766"^^xsd:int ;
dbo:smiles "O=[Al-]=O.[Na+]" ;
dbp:inchikey "InChIKey=IYJYQHRNMMNLRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naalmnt" ;
skos:prefLabel "natriumaluminaat"@nl .
csc:NFQIYHPAGNZAOO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93289 ;
dbo:casNumber "53720-80-2" ;
dbo:formula "C16H13Cl5N2" ;
dbo:inchi "InChI=1S/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2" ;
dbo:iupacName "1,3-Bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine"@en ;
dbo:pubchem "93289"^^xsd:int ;
dbo:smiles "C1CN(C(N1C2=CC(=CC=C2)Cl)C(Cl)(Cl)Cl)C3=CC(=CC=C3)Cl" ;
dbp:inchikey "InChIKey=NFQIYHPAGNZAOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002547 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcfndne" ;
skos:prefLabel "trichlofenidine"@nl .
csc:AVRQBXVUUXHRMY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:87439 ;
dbo:casNumber "18063-03-1" ;
dbo:formula "C7H5F2NO" ;
dbo:inchi "InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Difluorobenzamide"@en ;
dbo:pubchem "87439"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)N)F" ;
dbp:inchikey "InChIKey=AVRQBXVUUXHRMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DFBenAd" ;
skos:prefLabel "2,6-difluorbenzamide"@nl .
csc:XMGQYMWWDOXHJM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22311 ;
dbo:casNumber "7705-14-8" , "7721-11-1" , "65996-98-7" , "6876-12-6" , "8022-90-0" , "9003-73-0" , "8050-32-6" , "7705-13-7" , "138-86-3" , "555-08-8" , "68246-90-2" , "26123-39-7" , "95327-98-3" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" ;
dbo:iupacName "1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "22311"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "InChIKey=XMGQYMWWDOXHJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "limnn" ;
skos:prefLabel "limoneen"@nl .
csc:CHEMONTID_0000139
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000139 ;
skos:definition "Compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N , csc:CUKXSBOAIJILRY-UHFFFAOYSA-N , csc:ITKAIUGKVKDENI-UHFFFAOYSA-N , csc:NWIUTZDMDHAVTP-UHFFFAOYSA-N , csc:YGULWPYYGQCFMP-CEAXSRTFSA-N ;
skos:notation "CHEMONTID:0000139" ;
skos:prefLabel "Tyrosols and derivatives"@en .
csc:GDLIGKIOYRNHDA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2801 ;
dbo:casNumber "83162-38-3" , "303-49-1" ;
dbo:formula "C19H23ClN2" ;
dbo:inchi "InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3" ;
dbo:iupacName "3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "2801"^^xsd:int ;
dbo:smiles "CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=GDLIGKIOYRNHDA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clompmne" ;
skos:prefLabel "clomipramine"@nl .
csc:QCFYJCYNJLBDRT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7944 ;
dbo:casNumber "52438-91-2" , "108-60-1" ;
dbo:formula "C6H12Cl2O" ;
dbo:inchi "InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "1-chloro-2-(1-chloropropan-2-yloxy)propane"@en ;
dbo:pubchem "7944"^^xsd:int ;
dbo:smiles "CC(CCl)OC(C)CCl" ;
dbp:inchikey "InChIKey=QCFYJCYNJLBDRT-UHFFFAOYSA-N" ;
skos:altLabel "2,2'-Dichloordiisopropyl ether"@nl , "bis-(2-chloorisopropyl)-ether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClDiC3yEtr" ;
skos:prefLabel "2,2'-dichloordiisopropyl ether"@nl .
csc:CHEMONTID_0002514
skos:narrower csc:YGSDEFSMJLZEOE-UHFFFAOYSA-N .
csc:CHEMONTID_0000282
skos:narrower csc:RZPAKFUAFGMUPI-QESOVKLGSA-N , csc:ACTOXUHEUCPTEW-JMRHEKERSA-N , csc:JTSDBFGMPLKDCD-SWSPHLSKSA-N , csc:HSZLKTCKAYXVBX-DCAGQSADSA-N , csc:SRJQTHAZUNRMPR-UYQKXTDMSA-N , csc:YKAVHPRGGAUFDN-JTQLBUQXSA-N , csc:ACTOXUHEUCPTEW-KWBWCIJSSA-N , csc:WBPYTXDJUQJLPQ-VMXQISHHSA-N , csc:RDECBWLKMPEKPM-PSCJHHPTSA-N , csc:MQTOSJVFKKJCRP-OHJWJPDZSA-N , csc:GCKZANITAMOIAR-XWVCPFKXSA-N , csc:ICVKYYINQHWDLM-YLNALPTESA-N , csc:RLPCJGKQKFMBEI-UOBLTHIJSA-N , csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N , csc:VWAMTBXLZPEDQO-FWEXOAGLSA-N , csc:AGOYDEPGAOXOCK-KCBOHYOISA-N , csc:RXZBMPWDPOLZGW-KMAKEOJNSA-N , csc:ZPCCSZFPOXBNDL-RSMXASMKSA-N .
csc:CHEMONTID_0002031
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002031 ;
skos:definition "Sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KZJWDPNRJALLNS-VJSFXXLFSA-N ;
skos:notation "CHEMONTID:0002031" ;
skos:prefLabel "Stigmastanes and derivatives"@en .
csc:FSSPGSAQUIYDCN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14264 ;
dbo:casNumber "1120-71-4" ;
dbo:formula "C3H6O3S" ;
dbo:inchi "InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2" ;
dbo:iupacName "oxathiolane 2,2-dioxide"@en ;
dbo:pubchem "14264"^^xsd:int ;
dbo:smiles "C1COS(=O)(=O)C1" ;
dbp:inchikey "InChIKey=FSSPGSAQUIYDCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001888 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3astn" ;
skos:prefLabel "propaansulton"@nl .
csc:FNCMBMZOZQAWJA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17521 ;
dbo:casNumber "2635-10-1" ;
dbo:formula "C11H15NO3S" ;
dbo:inchi "InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17521"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=FNCMBMZOZQAWJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocbSO" ;
skos:prefLabel "methiocarbsulfoxide"@nl .
csc:PQYJRMFWJJONBO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31356 ;
dbo:casNumber "126-72-7" , "1867-14-7" , "55962-48-6" , "68112-30-1" ;
dbo:formula "C9H15Br6O4P" ;
dbo:inchi "InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2" ;
dbo:iupacName "['tris(2,3-dibromopropoxy)-hydroxyphosphanium', 'Tris(2,3-dibromopropyl) phosphate']"@en ;
dbo:pubchem "31356"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br" ;
dbp:inchikey "InChIKey=PQYJRMFWJJONBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris23DBrC3y" ;
skos:prefLabel "tris(2,3-dibroompropyl)fosfaat"@nl .
csc:HDZGCSFEDULWCS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6061 ;
dbo:casNumber "60-34-4" ;
dbo:formula "CH6N2" ;
dbo:inchi "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" ;
dbo:iupacName "METHYLHYDRAZINE"@en ;
dbo:pubchem "6061"^^xsd:int ;
dbo:smiles "CNN" ;
dbp:inchikey "InChIKey=HDZGCSFEDULWCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yhdzne" ;
skos:prefLabel "methylhydrazine"@nl .
csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:769 ;
dbo:casNumber "71-52-3" ;
dbo:formula "CHO3-" ;
dbo:inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" ;
dbo:iupacName "hydrogen carbonate"@en ;
dbo:pubchem "769"^^xsd:int ;
dbo:smiles "C(=O)(O)[O-]" ;
dbp:inchikey "InChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA-M" ;
skos:exactMatch wise:CAS_71-52-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCO3" ;
skos:prefLabel "waterstofcarbonaat"@nl ;
vcs:vmmParameterId "2"^^xsd:int .
csc:BZCXQYVNASLLQO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33743 ;
dbo:casNumber "27208-37-3" ;
dbo:formula "C18H10" ;
dbo:inchi "InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H" ;
dbo:iupacName "pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene"@en ;
dbo:pubchem "33743"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=C4C=CC5=C4C3=C(C=C2)C=C5" ;
dbp:inchikey "InChIKey=BZCXQYVNASLLQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycPecdPyr" ;
skos:prefLabel "cyclopenta(cd)pyreen"@nl .
csc:XGWIJUOSCAQSSV-VPHXOMNUSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73673 ;
dbo:casNumber "78587-05-0" ;
dbo:formula "C17H21ClN2O2S" ;
dbo:inchi "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15?/m0/s1" ;
dbo:iupacName "(4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide"@en ;
dbo:pubchem "73673"^^xsd:int ;
dbo:smiles "CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=XGWIJUOSCAQSSV-VPHXOMNUSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hextazx" ;
skos:prefLabel "hexythiazox"@nl .
csc:ZXVONLUNISGICL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10800 ;
dbo:casNumber "534-52-1" , "53240-95-2" , "37359-43-6" , "8071-51-0" , "8068-73-3" ;
dbo:formula "C7H6N2O5" ;
dbo:inchi "InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3" ;
dbo:iupacName "2-Methyl-4,6-dinitrophenol"@en ;
dbo:pubchem "10800"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ZXVONLUNISGICL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:exactMatch wise:CAS_534-52-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DNOC" ;
skos:prefLabel "4,6-dinitro-o-cresol"@nl ;
vcs:vmmParameterId "210"^^xsd:int .
csc:CMOYPQWMTBSLJK-KAMYIIQDSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282107 ;
dbo:casNumber "140-03-4" ;
dbo:formula "C21H38O4" ;
dbo:inchi "InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-" ;
dbo:iupacName "methyl (Z)-12-acetyloxyoctadec-9-enoate"@en ;
dbo:pubchem "5282107"^^xsd:int ;
dbo:smiles "CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C" ;
dbp:inchikey "InChIKey=CMOYPQWMTBSLJK-KAMYIIQDSA-N" ;
skos:altLabel "methyl O-acetylricinoleaat"@nl ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yOactrcnla" ;
skos:prefLabel "methyl o-acetylricinoleaat"@nl .
csc:CHEMONTID_0004321
skos:narrower csc:XUIIKFGFIJCVMT-UHFFFAOYSA-N .
csc:VOZKAJLKRJDJLL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7261 ;
dbo:casNumber "12236-56-5" , "95-80-7" , "85898-88-0" , "71111-07-4" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3" ;
dbo:iupacName "4-methylbenzene-1,3-diamine"@en ;
dbo:pubchem "7261"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)N" ;
dbp:inchikey "InChIKey=VOZKAJLKRJDJLL-UHFFFAOYSA-N" ;
skos:altLabel "2,4-diaminotolueen"@nl ;
skos:broader csc:CHEMONTID_0003965 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAoTol" ;
skos:prefLabel "2,4-diaminotoluene"@nl .
csc:GZCRRIHWUXGPOV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23958 ;
dbo:casNumber "7440-27-9" , "110424-82-3" ;
dbo:formula "Tb" ;
dbo:inchi "InChI=1S/Tb" ;
dbo:iupacName "TERBIUM"@en ;
dbo:pubchem "23958"^^xsd:int ;
dbo:smiles "[Tb]" ;
dbp:inchikey "InChIKey=GZCRRIHWUXGPOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tb" ;
skos:prefLabel "terbium"@nl .
csc:UWTUEMKLYAGTNQ-UPHRSURJSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:643776 ;
dbo:casNumber "590-11-4" , "540-49-8" ;
dbo:formula "C2H2Br2" ;
dbo:inchi "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-" ;
dbo:iupacName "(Z)-1,2-dibromoethene"@en ;
dbo:pubchem "643776"^^xsd:int ;
dbo:smiles "C(=CBr)Br" ;
dbp:inchikey "InChIKey=UWTUEMKLYAGTNQ-UPHRSURJSA-N" ;
skos:altLabel "som 1,2-dibroometheen (som cis- en trans-)"@nl ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DBrC2e" , "s12DBrC2e" ;
skos:prefLabel "trans-1,2-dibroometheen"@nl .
csc:QLHULAHOXSSASE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:125098 ;
dbo:casNumber "119515-38-7" , "658051-75-3" ;
dbo:formula "C12H23NO3" ;
dbo:inchi "InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3" ;
dbo:iupacName "butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate"@en ;
dbo:pubchem "125098"^^xsd:int ;
dbo:smiles "CCC(C)OC(=O)N1CCCCC1CCO" ;
dbp:inchikey "InChIKey=QLHULAHOXSSASE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002411 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icrdn" ;
skos:prefLabel "icaridin"@nl .
csc:DQWPFSLDHJDLRL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6535 ;
dbo:casNumber "78-40-0" ;
dbo:formula "C6H15O4P" ;
dbo:inchi "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" ;
dbo:iupacName "['triethoxy-hydroxyphosphanium', 'Triethyl phosphate']"@en ;
dbo:pubchem "6535"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OCC" ;
dbp:inchikey "InChIKey=DQWPFSLDHJDLRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yPO4" ;
skos:prefLabel "triethylfosfaat"@nl .
csc:HQJQYILBCQPYBI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7110 ;
dbo:casNumber "92-86-4" ;
dbo:formula "C12H8Br2" ;
dbo:inchi "InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" ;
dbo:iupacName "1-bromo-4-(4-bromophenyl)benzene"@en ;
dbo:pubchem "7110"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br" ;
dbp:inchikey "InChIKey=HQJQYILBCQPYBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB15" ;
skos:prefLabel "4,4'-dibroombifenyl"@nl .
csc:GHGCUYKTGPFCTK-LZOIJMLOSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436297 ;
dbo:casNumber "77108-06-6" , "66346-04-1" , "76738-62-0" ;
dbo:formula "C30H40Cl2N6O2" ;
dbo:inchi "InChI=1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13?,14-/m10/s1" ;
dbo:iupacName "(3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol"@en ;
dbo:pubchem "6436297"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O.CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=GHGCUYKTGPFCTK-LZOIJMLOSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pacbtzl" ;
skos:prefLabel "paclobutrazol"@nl .
csc:CHEMONTID_0000118
skos:narrower csc:XNLICIUVMPYHGG-UHFFFAOYSA-N , csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N , csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N , csc:KYWIYKKSMDLRDC-UHFFFAOYSA-N , csc:FVUGZKDGWGKCFE-UHFFFAOYSA-N , csc:CSCPPACGZOOCGX-UHFFFAOYSA-N , csc:HXVNBWAKAOHACI-UHFFFAOYSA-N , csc:RHLVCLIPMVJYKS-UHFFFAOYSA-N , csc:IEDKVDCIEARIIU-UHFFFAOYSA-N , csc:FDPIMTJIUBPUKL-UHFFFAOYSA-N , csc:UIHCLUNTQKBZGK-UHFFFAOYSA-N , csc:QQZOPKMRPOGIEB-UHFFFAOYSA-N , csc:FFWSICBKRCICMR-UHFFFAOYSA-N , csc:NGAZZOYFWWSOGK-UHFFFAOYSA-N , csc:NTIZESTWPVYFNL-UHFFFAOYSA-N , csc:HYTRYEXINDDXJK-UHFFFAOYSA-N .
csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7845 ;
dbo:casNumber "106-99-0" , "68514-37-4" , "68441-48-5" , "130983-70-9" , "25339-57-5" ;
dbo:formula "C4H6" ;
dbo:inchi "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" ;
dbo:iupacName "Buta-1,3-diene"@en ;
dbo:pubchem "7845"^^xsd:int ;
dbo:smiles "C=CC=C" ;
dbp:inchikey "InChIKey=KAKZBPTYRLMSJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13butDen" ;
skos:prefLabel "1,3-butadieen"@nl .
csc:AHTPATJNIAFOLR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73674 ;
dbo:casNumber "79277-27-3" ;
dbo:formula "C12H13N5O6S2" ;
dbo:inchi "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" ;
dbo:iupacName "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate"@en ;
dbo:pubchem "73674"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" ;
dbp:inchikey "InChIKey=AHTPATJNIAFOLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thifsfrnC1y" ;
skos:prefLabel "thifensulfuron-methyl"@nl .
csc:OKUGPJPKMAEJOE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16003 ;
dbo:casNumber "1929-77-7" ;
dbo:formula "C10H21NOS" ;
dbo:inchi "InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "S-propyl (dipropylamino)methanethioate"@en ;
dbo:pubchem "16003"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCCC" ;
dbp:inchikey "InChIKey=OKUGPJPKMAEJOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vernlt" ;
skos:prefLabel "vernolaat"@nl .
csc:IXORZMNAPKEEDV-QTWFBFKQSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:439551 ;
dbo:casNumber "77-06-5" ;
dbo:formula "C19H22O6" ;
dbo:inchi "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16?,17+,18+,19-/m1/s1" ;
dbo:iupacName "(1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid"@en ;
dbo:pubchem "439551"^^xsd:int ;
dbo:smiles "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" ;
dbp:inchikey "InChIKey=IXORZMNAPKEEDV-QTWFBFKQSA-N" ;
skos:broader csc:CHEMONTID_0004013 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gebbrlnzr" ;
skos:prefLabel "gibberellinezuur"@nl .
csc:CHEMONTID_0000261
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000261 ;
skos:definition "Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). Phenylpropanoids are aromatic compounds based on the phenylpropane skeleton. Polyketides usually consist of alternating carbonyl and methylene groups (beta-polyketones), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000261" ;
skos:prefLabel "Phenylpropanoids and polyketides"@en .
csc:VXLYOURCUVQYLN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:581393 ;
dbo:casNumber "18368-64-4" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3" ;
dbo:iupacName "2-Chloro-5-methylpyridine"@en ;
dbo:pubchem "581393"^^xsd:int ;
dbo:smiles "CC1=CN=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=VXLYOURCUVQYLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yprdne" ;
skos:prefLabel "2-chloor-5-methyl-pyridine"@nl .
csc:URAYPUMNDPQOKB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5541 ;
dbo:casNumber "102-76-1" ;
dbo:formula "C9H14O6" ;
dbo:inchi "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" ;
dbo:iupacName "1,3-diacetyloxypropan-2-yl acetate"@en ;
dbo:pubchem "5541"^^xsd:int ;
dbo:smiles "CC(=O)OCC(COC(=O)C)OC(=O)C" ;
dbp:inchikey "InChIKey=URAYPUMNDPQOKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrTactt" ;
skos:prefLabel "glyceroltriacetaat"@nl .
csc:SPNQRCTZKIBOAX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36565 ;
dbo:casNumber "33629-47-9" , "12676-07-2" ;
dbo:formula "C14H21N3O4" ;
dbo:inchi "InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3" ;
dbo:iupacName "N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline"@en ;
dbo:pubchem "36565"^^xsd:int ;
dbo:smiles "CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SPNQRCTZKIBOAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butln" ;
skos:prefLabel "butralin"@nl .
csc:CHEMONTID_0002010
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002010 ;
skos:definition "Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FEVBMCJUKWWWBT-BNIOFCGNSA-N , csc:CJIASZBWXIFQMU-ZVXOBQGSSA-N , csc:ZYZCGGRZINLQBL-GWRQVWKTSA-N , csc:SIGQAYSWORHPPH-GFXLLRAPSA-N , csc:WLWITBHAANNFHV-YNYQYFAYSA-N , csc:DIAQQISRBBDJIM-DRSCAGMXSA-N ;
skos:notation "CHEMONTID:0002010" ;
skos:prefLabel "Hybrid peptides"@en .
csc:SIGQAYSWORHPPH-GFXLLRAPSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6440826 ;
dbo:casNumber "123304-10-9" ;
dbo:formula "C52H71N7O13" ;
dbo:inchi "InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+" ;
dbo:iupacName "15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6440826"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=C(C=C2)O)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C" ;
dbp:inchikey "InChIKey=SIGQAYSWORHPPH-GFXLLRAPSA-N" ;
skos:altLabel "microcystine-ly"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LY" ;
skos:prefLabel "microcystine-LY"@nl .
csc:LVGUHATVVHIJET-CMDGGOBGSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5354490 ;
dbo:casNumber "3152-68-9" , "18402-88-5" ;
dbo:formula "C11H12O" ;
dbo:inchi "InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+" ;
dbo:iupacName "['(E)-1-phenylpent-1-en-3-one', '1-Phenylpent-1-en-3-one']"@en ;
dbo:pubchem "5354490"^^xsd:int ;
dbo:smiles "CCC(=O)C=CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=LVGUHATVVHIJET-CMDGGOBGSA-N" ;
skos:broader csc:CHEMONTID_0000037 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Fy1C5e3on" ;
skos:prefLabel "1-fenyl-1-penteen-3-on"@nl .
csc:GYCMBHHDWRMZGG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31368 ;
dbo:casNumber "126-98-7" , "25067-61-2" ;
dbo:formula "C4H5N" ;
dbo:inchi "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" ;
dbo:iupacName "2-methylprop-2-enenitrile"@en ;
dbo:pubchem "31368"^^xsd:int ;
dbo:smiles "CC(=C)C#N" ;
dbp:inchikey "InChIKey=GYCMBHHDWRMZGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yaclntl" ;
skos:prefLabel "methyl-acrylonitril"@nl .
csc:NMFAMPYSJHIYMR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29696 ;
dbo:casNumber "19622-08-3" , "19622-19-6" ;
dbo:formula "C8H19ClN2OS" ;
dbo:inchi "InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H" ;
dbo:iupacName "3-(ethylsulfanylcarbonylamino)propyl-dimethylazanium chloride"@en ;
dbo:pubchem "29696"^^xsd:int ;
dbo:smiles "CCSC(=O)NCCC[NH+](C)C.[Cl-]" ;
dbp:inchikey "InChIKey=NMFAMPYSJHIYMR-UHFFFAOYSA-N" ;
skos:altLabel "prothiocarb hydrochloride"@nl ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocHCl" , "protocb" ;
skos:prefLabel "prothiocarb"@nl .
csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12281 ;
dbo:casNumber "626-43-7" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2" ;
dbo:iupacName "3,5-DICHLOROANILINE"@en ;
dbo:pubchem "12281"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)N" ;
dbp:inchikey "InChIKey=UQRLKWGPEVNVHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_626-43-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DClAn" ;
skos:prefLabel "3,5-dichlooraniline"@nl ;
vcs:vmmParameterId "49"^^xsd:int .
csc:RJUFJBKOKNCXHH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11124 ;
dbo:casNumber "554-12-1" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" ;
dbo:iupacName "Methyl propanoate"@en ;
dbo:pubchem "11124"^^xsd:int ;
dbo:smiles "CCC(=O)OC" ;
dbp:inchikey "InChIKey=RJUFJBKOKNCXHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC3yat" ;
skos:prefLabel "methylpropylaat"@nl .
csc:CHEMONTID_0000176
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000176 ;
skos:definition "Organic compounds containing a carboxylic acid substituent attached to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PASDCCFISLVPSO-UHFFFAOYSA-N , csc:QCAWEPFNJXQPAN-UHFFFAOYSA-N , csc:AQIHMSVIAGNIDM-UHFFFAOYSA-N , csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000176" ;
skos:prefLabel "Benzoic acids and derivatives"@en .
csc:ZOTBXTZVPHCKPN-HTXNQAPBSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6112114 ;
dbo:casNumber "143390-89-0" ;
dbo:formula "C18H19NO4" ;
dbo:inchi "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" ;
dbo:iupacName "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate"@en ;
dbo:pubchem "6112114"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC" ;
dbp:inchikey "InChIKey=ZOTBXTZVPHCKPN-HTXNQAPBSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "kresOxmC1y" ;
skos:prefLabel "kresoxim-methyl"@nl .
csc:SMKRKQBMYOFFMU-DRXWIORDSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31621 ;
dbo:casNumber "23031-36-9" ;
dbo:formula "C19H24O3" ;
dbo:inchi "InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1" ;
dbo:iupacName "(2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl) (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "31621"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C" ;
dbp:inchikey "InChIKey=SMKRKQBMYOFFMU-DRXWIORDSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pralltn" ;
skos:prefLabel "prallethrin"@nl .
csc:QUIMTLZDMCNYGY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11899 ;
dbo:casNumber "611-06-3" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H" ;
dbo:iupacName "2,4-Dichloro-1-nitrobenzene"@en ;
dbo:pubchem "11899"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QUIMTLZDMCNYGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_611-06-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClNO2Ben" ;
skos:prefLabel "2,4-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "773"^^xsd:int .
csc:CHEMONTID_0004777
skos:narrower csc:YLKFDHTUAUWZPQ-UHFFFAOYSA-N , csc:YGJHZCLPZAZIHH-UHFFFAOYSA-N , csc:WBNQDOYYEUMPFS-UHFFFAOYSA-N , csc:UMFJAHHVKNCGLG-UHFFFAOYSA-N , csc:RTDCJKARQCRONF-UHFFFAOYSA-N , csc:AWZVYNHQGTZJIH-UHFFFAOYSA-N .
csc:PDQAZBWRQCGBEV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7300 ;
dbo:casNumber "96-45-7" , "26856-29-1" , "90613-75-5" , "71836-04-9" , "12261-94-8" , "96-46-8" ;
dbo:formula "C3H6N2S" ;
dbo:inchi "InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)" ;
dbo:iupacName "imidazolidine-2-thione"@en ;
dbo:pubchem "7300"^^xsd:int ;
dbo:smiles "C1CN=C(N1)S" ;
dbp:inchikey "InChIKey=PDQAZBWRQCGBEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000250 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yetourum" ;
skos:prefLabel "ethyleenthioureum"@nl .
csc:CHEMONTID_0002551
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002551 ;
skos:definition "Compounds with a structure containing a benzene ring conjugated to a propanoic acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OIRFJRBSRORBCM-UHFFFAOYSA-N , csc:HEFNNWSXXWATRW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002551" ;
skos:prefLabel "Phenylpropanoic acids"@en .
csc:LLMLGZUZTFMXSA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8620 ;
dbo:casNumber "133-49-3" ;
dbo:formula "C6HCl5S" ;
dbo:inchi "InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" ;
dbo:iupacName "2,3,4,5,6-pentachlorobenzenethiol"@en ;
dbo:pubchem "8620"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S" ;
dbp:inchikey "InChIKey=LLMLGZUZTFMXSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001850 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClBentol" ;
skos:prefLabel "pentachloorbenzeenthiol"@nl .
csc:LBWPYRZGHYVSEL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19775 ;
dbo:casNumber "3892-00-0" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3" ;
dbo:iupacName "2,6,10-TRIMETHYLPENTADECANE"@en ;
dbo:pubchem "19775"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=LBWPYRZGHYVSEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2610TC1yC15" ;
skos:prefLabel "2,6,10-trimethylpentadecaan"@nl .
csc:BEZZFPOZAYTVHN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40854 ;
dbo:casNumber "53716-50-0" ;
dbo:formula "C15H13N3O3S" ;
dbo:inchi "InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)" ;
dbo:iupacName "methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "40854"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=BEZZFPOZAYTVHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxfdzle" ;
skos:prefLabel "oxfendazole"@nl .
csc:UNEATYXSUBPPKP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7450 ;
dbo:casNumber "99-62-7" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "1,3-di(propan-2-yl)benzene"@en ;
dbo:pubchem "7450"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC=C1)C(C)C" ;
dbp:inchikey "InChIKey=UNEATYXSUBPPKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DiC3yeBen" ;
skos:prefLabel "1,3-di-isopropylbenzeen"@nl .
csc:QXAITBQSYVNQDR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36324 ;
dbo:casNumber "33089-61-1" ;
dbo:formula "C19H23N3" ;
dbo:inchi "InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3" ;
dbo:iupacName "N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide"@en ;
dbo:pubchem "36324"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C" ;
dbp:inchikey "InChIKey=QXAITBQSYVNQDR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtz" ;
skos:prefLabel "amitraz"@nl .
csc:CHEMONTID_0002949
skos:narrower csc:ZTSDOGSKTICNPQ-UHFFFAOYSA-N , csc:QIQXTHQIDYTFRH-UHFFFAOYSA-N , csc:KEMQGTRYUADPNZ-UHFFFAOYSA-N , csc:XSXIVVZCUAHUJO-HZJYTTRNSA-N , csc:TUNFSRHWOTWDNC-UHFFFAOYSA-N , csc:HOBAELRKJCKHQD-QNEBEIHSSA-N , csc:SECPZKHBENQXJG-BQYQJAHWSA-N , csc:SZHOJFHSIKHZHA-UHFFFAOYSA-N , csc:WQEPLUUGTLDZJY-UHFFFAOYSA-N , csc:IPCSVZSSVZVIGE-UHFFFAOYSA-N , csc:LVDGGZAZAYHXEY-UHFFFAOYSA-N , csc:ZQPPMHVWECSIRJ-MDZDMXLPSA-N , csc:JAZBEHYOTPTENJ-JLNKQSITSA-N , csc:OJMBMWRMTMHMSZ-UHFFFAOYSA-N , csc:AHANXAKGNAKFSK-IUQGRGSQSA-N , csc:RUDINRUXCKIXAJ-UHFFFAOYSA-N , csc:VKOBVWXKNCXXDE-UHFFFAOYSA-N , csc:YWWVWXASSLXJHU-WAYWQWQTSA-N , csc:YZXBAPSDXZZRGB-CGRWFSSPSA-N , csc:CKDDRHZIAZRDBW-UHFFFAOYSA-N .
csc:BKVIYDNLLOSFOA-RNFDNDRNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335611 ;
dbo:casNumber "14913-50-9" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1+4" ;
dbo:iupacName "thallium-208"@en ;
dbo:pubchem "6335611"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "InChIKey=BKVIYDNLLOSFOA-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl208" ;
skos:prefLabel "thallium 208"@nl .
csc:IEEJAAUSLQCGJH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37182 ;
dbo:casNumber "35572-78-2" ;
dbo:formula "C7H7N3O4" ;
dbo:inchi "InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3" ;
dbo:iupacName "2-methyl-3,5-dinitroaniline"@en ;
dbo:pubchem "37182"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=IEEJAAUSLQCGJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao46DNO2Tol" ;
skos:prefLabel "2-amino-4,6-dinitrotolueen"@nl .
csc:DXYYSGDWQCSKKO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8446 ;
dbo:casNumber "120-75-2" ;
dbo:formula "C8H7NS" ;
dbo:inchi "InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3" ;
dbo:iupacName "2-methyl-1,3-benzothiazole"@en ;
dbo:pubchem "8446"^^xsd:int ;
dbo:smiles "CC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "InChIKey=DXYYSGDWQCSKKO-UHFFFAOYSA-N" ;
skos:altLabel "2-methylbenzothiazool"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ybztazl" ;
skos:prefLabel "methylbenzothiazole"@nl .
csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:40479 ;
dbo:casNumber "52663-72-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40479"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=AZXHAWRMEPZSSV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 167"@nl , "2,3',4,4',5,5'-hexachloorbifenyl"@nl , "2,3',4,4',5,5'-hexachloorbifenyl (pcb167)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_52663-72-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB167" ;
skos:prefLabel "pcb 167"@nl ;
vcs:vmmParameterId "1374"^^xsd:int .
csc:AWZVYNHQGTZJIH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20678 ;
dbo:casNumber "4549-40-0" ;
dbo:formula "C3H6N2O" ;
dbo:inchi "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3" ;
dbo:iupacName "N-ethenyl-N-methylnitrous amide"@en ;
dbo:pubchem "20678"^^xsd:int ;
dbo:smiles "CN(C=C)N=O" ;
dbp:inchikey "InChIKey=AWZVYNHQGTZJIH-UHFFFAOYSA-N" ;
skos:altLabel "methyl-N-nitroso-vinylamine"@nl ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yNNO2svnAe" ;
skos:prefLabel "methyl-n-nitroso-vinylamine"@nl .
csc:CHEMONTID_0002466
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002466 ;
skos:definition "Organic heterocyclic compounds containing an oxazaphosphinane ring, which consists of three carbon atoms, one nitrogen atom, and one phosphorus atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002466" ;
skos:prefLabel "Oxazaphosphinanes"@en .
csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62020 ;
dbo:casNumber "52888-80-9" ;
dbo:formula "C14H21NOS" ;
dbo:inchi "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" ;
dbo:iupacName "S-(phenylmethyl) (dipropylamino)methanethioate"@en ;
dbo:pubchem "62020"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NQLVQOSNDJXLKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_52888-80-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prosfcb" ;
skos:prefLabel "prosulfocarb"@nl ;
vcs:vmmParameterId "803"^^xsd:int .
csc:YUVKUEAFAVKILW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91701 ;
dbo:casNumber "121958-44-9" , "69335-91-7" , "93171-48-3" , "86023-37-2" , "87168-00-1" ;
dbo:formula "C15H12F3NO4" ;
dbo:inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)" ;
dbo:iupacName "2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "91701"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=YUVKUEAFAVKILW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfp" ;
skos:prefLabel "fluazifop"@nl .
csc:CHEMONTID_0004215
skos:narrower csc:NKTOLZVEWDHZMU-UHFFFAOYSA-N .
csc:AWZOLILCOUMRDG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28292 ;
dbo:casNumber "17109-49-8" ;
dbo:formula "C14H15O2PS2" ;
dbo:inchi "InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3" ;
dbo:iupacName "(ethoxy-phenylsulfanylphosphoryl)sulfanylbenzene"@en ;
dbo:pubchem "28292"^^xsd:int ;
dbo:smiles "CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=AWZOLILCOUMRDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "edffs" ;
skos:prefLabel "edifenfos"@nl .
csc:PRLVTUNWOQKEAI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50367 ;
dbo:casNumber "69327-76-0" ;
dbo:formula "C16H23N3OS" ;
dbo:inchi "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" ;
dbo:iupacName "2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one"@en ;
dbo:pubchem "50367"^^xsd:int ;
dbo:smiles "CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=PRLVTUNWOQKEAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bupfzn" ;
skos:prefLabel "buprofezin"@nl .
csc:JKQOBWVOAYFWKG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14802 ;
dbo:casNumber "77835-70-2" , "12412-22-5" , "1313-27-5" , "114663-84-2" , "12412-21-4" , "37376-47-9" , "114316-51-7" , "199790-61-9" ;
dbo:formula "MoO3" ;
dbo:inchi "InChI=1S/Mo.3O" ;
dbo:iupacName "trioxomolybdenum"@en ;
dbo:pubchem "14802"^^xsd:int ;
dbo:smiles "O=[Mo](=O)=O" ;
dbp:inchikey "InChIKey=JKQOBWVOAYFWKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MoTO" ;
skos:prefLabel "molybdeentrioxide"@nl .
csc:PMZNABNRKYMIKT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62235 ;
dbo:casNumber "64969-34-2" ;
dbo:formula "C12H14Cl2N2O8S2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2.2H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;2*1-5(2,3)4/h1-6H,15-16H2;2*(H2,1,2,3,4)" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline; sulfuric acid"@en ;
dbo:pubchem "62235"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=PMZNABNRKYMIKT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdnSO4" ;
skos:prefLabel "3,3'-dichloorbenzidine sulfaat"@nl .
csc:BHHGXPLMPWCGHP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1001 ;
dbo:casNumber "64-04-0" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" ;
dbo:iupacName "2-phenylethanamine"@en ;
dbo:pubchem "1001"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCN" ;
dbp:inchikey "InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000186 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyC2yAe" ;
skos:prefLabel "b-fenylethylamine"@nl .
csc:RELMFMZEBKVZJC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6895 ;
dbo:casNumber "87-61-6" , "12002-48-1" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" ;
dbo:iupacName "1,2,3-Trichlorobenzene"@en ;
dbo:pubchem "6895"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RELMFMZEBKVZJC-UHFFFAOYSA-N" ;
skos:altLabel "1,2,3-trichloorbenzeen"@nl , "trichloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_12002-48-1 , wise:CAS_87-61-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClBen" , "TClBen" ;
skos:prefLabel "trichloorbenzenen"@nl ;
vcs:vmmParameterId "522"^^xsd:int , "314"^^xsd:int .
csc:USIUVYZYUHIAEV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7583 ;
dbo:casNumber "32576-61-7" , "101-84-8" ;
dbo:formula "C12H10O" ;
dbo:inchi "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "Phenoxybenzene"@en ;
dbo:pubchem "7583"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=USIUVYZYUHIAEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FyEtr" ;
skos:prefLabel "fenylether"@nl .
csc:CHEMONTID_0004756
skos:narrower csc:CIEXPHRYOLIQQD-UHFFFAOYSA-N .
csc:LMYRWZFENFIFIT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6269 ;
dbo:casNumber "70-55-3" ;
dbo:formula "C7H9NO2S" ;
dbo:inchi "InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)" ;
dbo:iupacName "4-Methylbenzenesulfonamide"@en ;
dbo:pubchem "6269"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)N" ;
dbp:inchikey "InChIKey=LMYRWZFENFIFIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTolsfAd" ;
skos:prefLabel "p-tolueensulfonamide"@nl .
csc:CHEMONTID_0001303
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001303 ;
skos:definition "Organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure RP(R')(R'')=S, where R,R',R'' = O,N, halogen residue."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001303" ;
skos:prefLabel "Organic thiophosphoric acids and derivatives"@en .
csc:WLWITBHAANNFHV-YNYQYFAYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6441244 ;
dbo:casNumber "134842-07-2" ;
dbo:formula "C48H72N10O12" ;
dbo:inchi "InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1" ;
dbo:iupacName "(5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6441244"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)CCC(NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "InChIKey=WLWITBHAANNFHV-YNYQYFAYSA-N" ;
skos:altLabel "7-desmethylmicrocystine-LR"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dmMC-LR" ;
skos:prefLabel "7-desmethylmicrocystine-lr"@nl .
csc:QBWCMBCROVPCKQ-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:197148 ;
dbo:casNumber "56310-06-6" , "74296-11-0" , "72061-90-6" , "1318-59-8" , "77546-18-0" , "77546-17-9" , "24518-47-6" , "69049-77-0" , "70134-37-1" , "155808-17-6" , "14998-27-7" , "93085-22-4" , "10049-04-4" , "1333-81-9" ;
dbo:formula "ClO2-" ;
dbo:inchi "InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1" ;
dbo:iupacName "Chlorite"@en ;
dbo:pubchem "197148"^^xsd:int ;
dbo:smiles "[O-]Cl=O" ;
dbp:inchikey "InChIKey=QBWCMBCROVPCKQ-UHFFFAOYSA-M" ;
skos:altLabel "chloriet"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClO2" , "ClDO" ;
skos:prefLabel "chloordioxide"@nl .
csc:XXIDKSWYSYEFAG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:80518 ;
dbo:casNumber "6294-34-4" , "21343-86-2" ;
dbo:formula "C6H12Cl3O3P" ;
dbo:inchi "InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxy-(2-chloroethyl)phosphoryl)oxyethane"@en ;
dbo:pubchem "80518"^^xsd:int ;
dbo:smiles "C(CCl)OP(=O)(CCCl)OCCCl" ;
dbp:inchikey "InChIKey=XXIDKSWYSYEFAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "b2ClC2y2ClC2" ;
skos:prefLabel "bis(2-chloorethyl)2-chloorethylfosfonaat"@nl .
csc:KUPLEGDPSCCPJI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20149 ;
dbo:casNumber "4181-95-7" ;
dbo:formula "C40H82" ;
dbo:inchi "InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3" ;
dbo:iupacName "TETRACONTANE"@en ;
dbo:pubchem "20149"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=KUPLEGDPSCCPJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C40a" ;
skos:prefLabel "tetracontaan"@nl .
csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3386 ;
dbo:casNumber "57226-07-0" , "54910-89-3" , "52341-67-0" ;
dbo:formula "C17H18F3NO" ;
dbo:inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3" ;
dbo:iupacName "N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine"@en ;
dbo:pubchem "3386"^^xsd:int ;
dbo:smiles "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=RTHCYVBBDHJXIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:exactMatch wise:CAS_54910-89-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluoxtne" ;
skos:prefLabel "fluoxetine"@nl ;
vcs:vmmParameterId "1399"^^xsd:int .
csc:CHEMONTID_0002445
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002445 ;
skos:definition "Organic acids with the general formula OOC(R)=O (R = H, organyl group)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002445" ;
skos:prefLabel "Peroxycarboxylic acids and derivatives"@en .
csc:FRCHKSNAZZFGCA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15586 ;
dbo:casNumber "1717-00-6" ;
dbo:formula "C2H3Cl2F" ;
dbo:inchi "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1,1-DICHLORO-1-FLUOROETHANE"@en ;
dbo:pubchem "15586"^^xsd:int ;
dbo:smiles "CC(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=FRCHKSNAZZFGCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK141b" ;
skos:prefLabel "1,1-dichloor-1-fluorethaan"@nl .
csc:HCWPIIXVSYCSAN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328144 ;
dbo:casNumber "13982-63-3" , "7440-14-4" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra" ;
dbo:iupacName "RADIUM"@en ;
dbo:pubchem "6328144"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "InChIKey=HCWPIIXVSYCSAN-UHFFFAOYSA-N" ;
skos:altLabel "radium"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra" , "Ra226" ;
skos:prefLabel "radium 226"@nl .
csc:YIIMEMSDCNDGTB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6598 ;
dbo:casNumber "79-44-7" , "342009-25-0" ;
dbo:formula "C3H6ClNO" ;
dbo:inchi "InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3" ;
dbo:iupacName "N,N-Dimethylcarbamoyl chloride"@en ;
dbo:pubchem "6598"^^xsd:int ;
dbo:smiles "CN(C)C(=O)Cl" ;
dbp:inchikey "InChIKey=YIIMEMSDCNDGTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001192 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ycbmyCl" ;
skos:prefLabel "dimethylcarbamoyl chloride"@nl .
csc:YSEMCVGMNUUNRK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9708 ;
dbo:casNumber "367-21-5" ;
dbo:formula "C6H5ClFN" ;
dbo:inchi "InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2" ;
dbo:iupacName "3-CHLORO-4-FLUOROANILINE"@en ;
dbo:pubchem "9708"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)F" ;
dbp:inchikey "InChIKey=YSEMCVGMNUUNRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClFAn" ;
skos:prefLabel "chloorfluoraniline"@nl .
csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1486 ;
dbo:casNumber "15183-39-8" , "94-75-7" ;
dbo:formula "C8H6Cl2O3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" ;
dbo:iupacName "2-(2,4-dichlorophenoxy)acetic acid"@en ;
dbo:pubchem "1486"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" ;
dbp:inchikey "InChIKey=OVSKIKFHRZPJSS-UHFFFAOYSA-N" ;
skos:altLabel "2,4-dichloorfenoxyazijnzuur"@nl , "(2,4-dichloorfenoxy)-azijnzuur (2,4-d)"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_94-75-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D" ;
skos:prefLabel "(2,4-dichloorfenoxy)azijnzuur (2,4-d)"@nl ;
vcs:vmmParameterId "230"^^xsd:int .
csc:CHEMONTID_0000134
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000134 ;
skos:definition "Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000134" ;
skos:prefLabel "Phenols"@en .
csc:YNEVBPNZHBAYOA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9414 ;
dbo:casNumber "315-18-4" ;
dbo:formula "C12H18N2O2" ;
dbo:inchi "InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)" ;
dbo:iupacName "(4-dimethylamino-3,5-dimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "9414"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=YNEVBPNZHBAYOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mexcbt" ;
skos:prefLabel "mexacarbaat"@nl .
csc:ALVYVCQIFHTIRD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3016044 ;
dbo:casNumber "39108-34-4" ;
dbo:formula "C10H5F17O3S" ;
dbo:inchi "InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid"@en ;
dbo:pubchem "3016044"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=ALVYVCQIFHTIRD-UHFFFAOYSA-N" ;
skos:altLabel "8:2 fluortelomeersulfonzuur (8:2 fts)"@nl , "8:2 fluortelomeersulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H-PFC10asfzr" ;
skos:prefLabel "2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)"@nl .
csc:CHEMONTID_0004735
skos:narrower csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N , csc:MGLWZSOBALDPEK-UHFFFAOYSA-N , csc:IROINLKCQGIITA-UHFFFAOYSA-N , csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N , csc:HCRWJJJUKUVORR-UHFFFAOYSA-N , csc:DDUIUBPJPOKOMV-UHFFFAOYSA-N , csc:AFIIBUOYKYSPKB-UHFFFAOYSA-N , csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N .
csc:CHEMONTID_0000049
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000049 ;
skos:definition "Compounds containing a tametraline moiety, which consists of a tetrahydronaphthalene linked to a phenyl group to form N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VGKDLMBJGBXTGI-SJCJKPOMSA-N ;
skos:notation "CHEMONTID:0000049" ;
skos:prefLabel "Tametralines"@en .
csc:QDNMBJXNLJFNHT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5507 ;
dbo:casNumber "13710-19-5" ;
dbo:formula "C14H12ClNO2" ;
dbo:inchi "InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)" ;
dbo:iupacName "2-[(4-chloro-3-methylphenyl)amino]benzoic acid"@en ;
dbo:pubchem "5507"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)NC2=CC=CC=C2C(=O)O)Cl" ;
dbp:inchikey "InChIKey=QDNMBJXNLJFNHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002948 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfAezr" ;
skos:prefLabel "tolfenaminezuur"@nl .
csc:HNJBEVLQSNELDL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12025 ;
dbo:casNumber "22580-55-8" , "616-45-5" ;
dbo:formula "C4H7NO" ;
dbo:inchi "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" ;
dbo:iupacName "pyrrolidin-2-one"@en ;
dbo:pubchem "12025"^^xsd:int ;
dbo:smiles "C1CC(=O)NC1" ;
dbp:inchikey "InChIKey=HNJBEVLQSNELDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2prldn" ;
skos:prefLabel "2-pyrrolidon"@nl .
csc:OBNCKNCVKJNDBV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7762 ;
dbo:casNumber "105-54-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" ;
dbo:iupacName "Ethyl butanoate"@en ;
dbo:pubchem "7762"^^xsd:int ;
dbo:smiles "CCCC(=O)OCC" ;
dbp:inchikey "InChIKey=OBNCKNCVKJNDBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ybtrt" ;
skos:prefLabel "ethylbutyraat"@nl .
csc:ZFSLODLOARCGLH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7956 ;
dbo:casNumber "27941-25-9" , "40580-20-9" , "27026-93-3" , "108-80-5" , "504-19-8" , "134016-52-7" ;
dbo:formula "C3H3N3O3" ;
dbo:inchi "InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)" ;
dbo:iupacName "1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "7956"^^xsd:int ;
dbo:smiles "C1(=O)NC(=O)NC(=O)N1" ;
dbp:inchikey "InChIKey=ZFSLODLOARCGLH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004105 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNuzr" ;
skos:prefLabel "cyanuurzuur"@nl .
csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7964 ;
dbo:casNumber "68411-45-0" , "108-90-7" , "50717-45-8" ;
dbo:formula "C6H5Cl" ;
dbo:inchi "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Chlorobenzene"@en ;
dbo:pubchem "7964"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=MVPPADPHJFYWMZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-90-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClBen" ;
skos:prefLabel "chloorbenzeen"@nl ;
vcs:vmmParameterId "373"^^xsd:int .
csc:JZHDEEOTEUVLHR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15243 ;
dbo:casNumber "1546-95-8" ;
dbo:formula "C7H2F12O2" ;
dbo:inchi "InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid"@en ;
dbo:pubchem "15243"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=JZHDEEOTEUVLHR-UHFFFAOYSA-N" ;
skos:altLabel "7h-perfluorheptaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HPFHpA" ;
skos:prefLabel "7H-perfluorheptaanzuur"@nl .
csc:AYJXHIDNNLJQDT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62374 ;
dbo:casNumber "1125-21-9" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3" ;
dbo:iupacName "2,6,6-Trimethylcyclohex-2-ene-1,4-dione"@en ;
dbo:pubchem "62374"^^xsd:int ;
dbo:smiles "CC1=CC(=O)CC(C1=O)(C)C" ;
dbp:inchikey "InChIKey=AYJXHIDNNLJQDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Ooifrn" ;
skos:prefLabel "4-oxoisoforon"@nl .
csc:JFSPBVWPKOEZCB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:90590 ;
dbo:casNumber "68445-15-8" , "24691-80-3" ;
dbo:formula "C12H11NO2" ;
dbo:inchi "InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)" ;
dbo:iupacName "2-methyl-N-phenylfuran-3-carboxamide"@en ;
dbo:pubchem "90590"^^xsd:int ;
dbo:smiles "CC1=C(C=CO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=JFSPBVWPKOEZCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfrm" ;
skos:prefLabel "fenfuram"@nl .
csc:OUCCVXVYGFBXSV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13721 ;
dbo:casNumber "953-17-3" ;
dbo:formula "C9H12ClO2PS3" ;
dbo:inchi "InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3" ;
dbo:iupacName "(4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13721"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCSC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=OUCCVXVYGFBXSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfntoC1y" ;
skos:prefLabel "carbofenothion-methyl"@nl .
csc:CTPKSRZFJSJGML-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7215 ;
dbo:casNumber "95-05-6" ;
dbo:formula "C10H20N2S3" ;
dbo:inchi "InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethylcarbamothioyl diethylaminomethanedithioate"@en ;
dbo:pubchem "7215"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SC(=S)N(CC)CC" ;
dbp:inchikey "InChIKey=CTPKSRZFJSJGML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003260 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monsfrm" ;
skos:prefLabel "monosulfiram"@nl .
csc:NMPOSNRHZIWLLL-SSHXOBKSSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65034 ;
dbo:casNumber "529-38-4" ;
dbo:formula "C18H23NO4" ;
dbo:inchi "InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1" ;
dbo:iupacName "ethyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate"@en ;
dbo:pubchem "65034"^^xsd:int ;
dbo:smiles "CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=NMPOSNRHZIWLLL-SSHXOBKSSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cocC2ye" ;
skos:prefLabel "cocaethyleen"@nl .
csc:OHSVLFRHMCKCQY-YPZZEJLDSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:177429 ;
dbo:casNumber "14391-24-3" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu/i1-2" ;
dbo:iupacName "lutetium-173"@en ;
dbo:pubchem "177429"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "InChIKey=OHSVLFRHMCKCQY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu173" ;
skos:prefLabel "lutetium 173"@nl .
csc:CHEMONTID_0003566
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003566 ;
skos:definition "Steroids with a structure containing the 27-carbon cholestane skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SFBMPHLOQAKIBY-HXHCRBPZSA-N , csc:DTGDZMYNKLTSKC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003566" ;
skos:prefLabel "Cholestane steroids"@en .
csc:QQINRWTZWGJFDB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23965 ;
dbo:casNumber "7440-34-8" ;
dbo:formula "Ac" ;
dbo:inchi "InChI=1S/Ac" ;
dbo:iupacName "ACTINIUM"@en ;
dbo:pubchem "23965"^^xsd:int ;
dbo:smiles "[Ac]" ;
dbp:inchikey "InChIKey=QQINRWTZWGJFDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ac" ;
skos:prefLabel "actinium"@nl .
csc:CHEMONTID_0000113
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000113 ;
skos:definition "Compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NJVHCUNZAMFQNA-UHFFFAOYSA-N , csc:JOVOSQBPPZZESK-UHFFFAOYSA-N , csc:MIVUDWFNUOXEJM-UHFFFAOYSA-N , csc:YBQZXXMEJHZYMB-UHFFFAOYSA-N , csc:UBUCNCOMADRQHX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000113" ;
skos:prefLabel "Phenylhydrazines"@en .
csc:NHOWDZOIZKMVAI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43226 ;
dbo:casNumber "60168-88-9" , "162707-16-6" ;
dbo:formula "C17H12Cl2N2O" ;
dbo:inchi "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H" ;
dbo:iupacName "(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "43226"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl" ;
dbp:inchikey "InChIKey=NHOWDZOIZKMVAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenarml" ;
skos:prefLabel "fenarimol"@nl .
csc:CHEMONTID_0004714
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004714 ;
skos:definition "Ester derivatives of phenylcarbamic acids."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VBCVPMMZEGZULK-NRFANRHFSA-N , csc:VXPLXMJHHKHSOA-UHFFFAOYSA-N , csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N , csc:AMRQXHFXNZFDCH-VIFPVBQESA-N , csc:MCOQHIWZJUDQIC-UHFFFAOYSA-N , csc:FFQQCJGNKKIRMD-UHFFFAOYSA-N , csc:LNJNFVJKDJYTEU-UHFFFAOYSA-N , csc:WOZQBERUBLYCEG-UHFFFAOYSA-N , csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N , csc:WZJZMXBKUWKXTQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004714" ;
skos:prefLabel "Phenylcarbamic acid esters"@en .
csc:OBLNWSCLAYSJJR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17748 ;
dbo:casNumber "2797-51-5" ;
dbo:formula "C10H6ClNO2" ;
dbo:inchi "InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" ;
dbo:iupacName "2-amino-3-chloronaphthalene-1,4-dione"@en ;
dbo:pubchem "17748"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N" ;
dbp:inchikey "InChIKey=OBLNWSCLAYSJJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quincmn" ;
skos:prefLabel "quinoclamin"@nl .
csc:IKVXBIIHQGXQRQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40520 ;
dbo:casNumber "52756-22-6" ;
dbo:formula "C19H19ClFNO3" ;
dbo:inchi "InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3" ;
dbo:iupacName "propan-2-yl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "40520"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=IKVXBIIHQGXQRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yfpp" ;
skos:prefLabel "iso-propylflamprop"@nl .
csc:PPQNQXQZIWHJRB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1674 ;
dbo:casNumber "345299-31-2" , "56-49-5" ;
dbo:formula "C21H16" ;
dbo:inchi "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3" ;
dbo:iupacName "3-methyl-1,2-dihydrobenzo[j]aceanthrylene"@en ;
dbo:pubchem "1674"^^xsd:int ;
dbo:smiles "CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1" ;
dbp:inchikey "InChIKey=PPQNQXQZIWHJRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1ycltn" ;
skos:prefLabel "3-methylcholantreen"@nl .
csc:RQDJADAKIFFEKQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86138 ;
dbo:casNumber "119611-00-6" , "114369-43-6" ;
dbo:formula "C19H17ClN4" ;
dbo:inchi "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" ;
dbo:iupacName "4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile"@en ;
dbo:pubchem "86138"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N" ;
dbp:inchikey "InChIKey=RQDJADAKIFFEKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbcnzl" ;
skos:prefLabel "fenbuconazool"@nl .
csc:CHEMONTID_0003630
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003630 ;
skos:definition "Electrically neutral organic molecules carrying a positive and a negative charge in one of their major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case. The term 1,3-dipolar compounds is used for those in which a significant canonical resonance form can be represented by a separation of charge over three atoms (in connection with 1,3-dipolar cycloadditions)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003630" ;
skos:prefLabel "Organic 1,3-dipolar compounds"@en .
csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7153 ;
dbo:casNumber "93-65-2" , "7085-19-0" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)" ;
dbo:iupacName "2-(4-Chloro-2-methylphenoxy)propanoic acid"@en ;
dbo:pubchem "7153"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O" ;
dbp:inchikey "InChIKey=WNTGYJSOUMFZEP-UHFFFAOYSA-N" ;
skos:altLabel "mecoprop (mcpp)"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_7085-19-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPP" ;
skos:prefLabel "mecoprop"@nl ;
vcs:vmmParameterId "253"^^xsd:int .
csc:QMMFVYPAHWMCMS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1068 ;
dbo:casNumber "31533-72-9" , "75-18-3" ;
dbo:formula "C2H6S" ;
dbo:inchi "InChI=1S/C2H6S/c1-3-2/h1-2H3" ;
dbo:iupacName "methylsulfanylmethane"@en ;
dbo:pubchem "1068"^^xsd:int ;
dbo:smiles "CSC" ;
dbp:inchikey "InChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003862 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yS" ;
skos:prefLabel "dimethylsulfide"@nl .
csc:UMPSXRYVXUPCOS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11334 ;
dbo:casNumber "25167-81-1" , "576-24-9" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H" ;
dbo:iupacName "2,3-Dichlorophenol"@en ;
dbo:pubchem "11334"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)O" ;
dbp:inchikey "InChIKey=UMPSXRYVXUPCOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClFol" ;
skos:prefLabel "2,3-dichloorfenol"@nl .
csc:AYXYPKUFHZROOJ-ZETCQYMHSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5486971 ;
dbo:casNumber "148553-50-8" ;
dbo:formula "C8H17NO2" ;
dbo:inchi "InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1" ;
dbo:iupacName "(3S)-3-(aminomethyl)-5-methylhexanoic acid"@en ;
dbo:pubchem "5486971"^^xsd:int ;
dbo:smiles "CC(C)CC(CC(=O)O)CN" ;
dbp:inchikey "InChIKey=AYXYPKUFHZROOJ-ZETCQYMHSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pregbln" ;
skos:prefLabel "pregabalin"@nl .
csc:GPTVQTPMFOLLOA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12341 ;
dbo:casNumber "628-34-2" ;
dbo:formula "C4H9ClO" ;
dbo:inchi "InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3" ;
dbo:iupacName "1-CHLORO-2-ETHOXYETHANE"@en ;
dbo:pubchem "12341"^^xsd:int ;
dbo:smiles "CCOCCCl" ;
dbp:inchikey "InChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClEyEtr" ;
skos:prefLabel "2-chloorethylether"@nl .
csc:FSCWZHGZWWDELK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39676 ;
dbo:casNumber "50471-44-8" ;
dbo:formula "C12H9Cl2NO3" ;
dbo:inchi "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3" ;
dbo:iupacName "3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione"@en ;
dbo:pubchem "39676"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C" ;
dbp:inchikey "InChIKey=FSCWZHGZWWDELK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vinczln" ;
skos:prefLabel "vinclozolin"@nl .
csc:CYEKUDPFXBLGHH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11450 ;
dbo:casNumber "585-34-2" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3" ;
dbo:iupacName "3-tert-Butylphenol"@en ;
dbo:pubchem "11450"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=CC=C1)O" ;
dbp:inchikey "InChIKey=CYEKUDPFXBLGHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ttC4yFol" ;
skos:prefLabel "3-tertiair-butylfenol"@nl .
csc:ZHLKXBJTJHRTTE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7639 ;
dbo:casNumber "103-17-3" ;
dbo:formula "C13H10Cl2S" ;
dbo:inchi "InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2" ;
dbo:iupacName "1-chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene"@en ;
dbo:pubchem "7639"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ZHLKXBJTJHRTTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbsde" ;
skos:prefLabel "chloorbenside"@nl .
csc:IVUXTESCPZUGJC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16115 ;
dbo:casNumber "1982-47-4" ;
dbo:formula "C15H15ClN2O2" ;
dbo:inchi "InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)" ;
dbo:iupacName "3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "16115"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=IVUXTESCPZUGJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cloxrn" ;
skos:prefLabel "chlooroxuron"@nl .
csc:HRQQEXIVBZHHOQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:168503 ;
dbo:casNumber "26264-02-8" ;
dbo:formula "C25H44O6" ;
dbo:inchi "InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "168503"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCO" ;
dbp:inchikey "InChIKey=HRQQEXIVBZHHOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO5" ;
skos:prefLabel "nonylfenolpentaethoxylaat"@nl .
csc:XMJHPCRAQCTCFT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6586 ;
dbo:casNumber "79-22-1" ;
dbo:formula "C2H3ClO2" ;
dbo:inchi "InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3" ;
dbo:iupacName "METHYL CHLOROFORMATE"@en ;
dbo:pubchem "6586"^^xsd:int ;
dbo:smiles "COC(=O)Cl" ;
dbp:inchikey "InChIKey=XMJHPCRAQCTCFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yClcbnt" ;
skos:prefLabel "methyl chloorcarbonaat"@nl .
csc:INISTDXBRIBGOC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50516 ;
dbo:casNumber "69409-94-5" , "79472-91-6" ;
dbo:formula "C26H22ClF3N2O3" ;
dbo:inchi "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate"@en ;
dbo:pubchem "50516"^^xsd:int ;
dbo:smiles "CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=INISTDXBRIBGOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flualnt" ;
skos:prefLabel "fluvalinaat"@nl .
csc:ZHNUHDYFZUAESO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:713 ;
dbo:casNumber "23296-41-5" , "75-12-7" ;
dbo:formula "CH3NO" ;
dbo:inchi "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" ;
dbo:iupacName "FORMAMIDE"@en ;
dbo:pubchem "713"^^xsd:int ;
dbo:smiles "C(=O)N" ;
dbp:inchikey "InChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formAd" ;
skos:prefLabel "formamide"@nl .
csc:IOXAXYHXMLCCJJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86443 ;
dbo:casNumber "144651-06-9" ;
dbo:formula "C17H18N4O6S" ;
dbo:inchi "InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)" ;
dbo:iupacName "oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "86443"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C" ;
dbp:inchikey "InChIKey=IOXAXYHXMLCCJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oasfrn" ;
skos:prefLabel "oxasulfuron"@nl .
csc:CHEMONTID_0004210
skos:narrower csc:VVAKEQGKZNKUSU-UHFFFAOYSA-N , csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N , csc:SBUYFICWQNHBCM-UHFFFAOYSA-N , csc:KNHJIEOCVVIBIV-UHFFFAOYSA-N , csc:DOLQYFPDPKPQSS-UHFFFAOYSA-N , csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N .
csc:DCUJJWWUNKIJPH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16004 ;
dbo:casNumber "1929-82-4" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H" ;
dbo:iupacName "2-Chloro-6-(trichloromethyl)pyridine"@en ;
dbo:pubchem "16004"^^xsd:int ;
dbo:smiles "C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=DCUJJWWUNKIJPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6TClC1ypr" ;
skos:prefLabel "2-chloor-6-(trichloormethyl)pyridine"@nl .
csc:CHEMONTID_0001234
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001234 ;
skos:definition "Organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MZSJGCPBOVTKHR-UHFFFAOYSA-N , csc:LGDSHSYDSCRFAB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001234" ;
skos:prefLabel "Isothiocyanates"@en .
csc:DERZBLKQOCDDDZ-JLHYYAGUSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1547484 ;
dbo:casNumber "16699-20-0" , "298-57-7" ;
dbo:formula "C26H28N2" ;
dbo:inchi "InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+" ;
dbo:iupacName "['1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine', '1-[di(phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine']"@en ;
dbo:pubchem "1547484"^^xsd:int ;
dbo:smiles "C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4" ;
dbp:inchikey "InChIKey=DERZBLKQOCDDDZ-JLHYYAGUSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cinnarizine"@nl .
csc:BUYMVQAILCEWRR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4420 ;
dbo:casNumber "300-76-5" , "53095-31-1" ;
dbo:formula "C4H7Br2Cl2O4P" ;
dbo:inchi "InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3" ;
dbo:iupacName "(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate"@en ;
dbo:pubchem "4420"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(C(Cl)(Cl)Br)Br" ;
dbp:inchikey "InChIKey=BUYMVQAILCEWRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nald" ;
skos:prefLabel "naled"@nl .
csc:FLTJDUOFAQWHDF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11551 ;
dbo:casNumber "590-73-8" , "29222-48-8" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3" ;
dbo:iupacName "2,2-DIMETHYLHEXANE"@en ;
dbo:pubchem "11551"^^xsd:int ;
dbo:smiles "CCCCC(C)(C)C" ;
dbp:inchikey "InChIKey=FLTJDUOFAQWHDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1yC6a" ;
skos:prefLabel "2,2-dimethylhexaan"@nl .
csc:CHEMONTID_0001149
skos:narrower csc:UUGLSEIATNSHRI-UHFFFAOYSA-N .
csc:GKLVYJBZJHMRIY-BJUDXGSMSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161147 ;
dbo:casNumber "15759-35-0" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1-1" ;
dbo:iupacName "technetium-97"@en ;
dbo:pubchem "161147"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "InChIKey=GKLVYJBZJHMRIY-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc97" ;
skos:prefLabel "technetium 97"@nl .
csc:LOOAGTDYKNUDBZ-UXBLZVDNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6107844 ;
dbo:casNumber "13104-21-7" ;
dbo:formula "C10H10BrCl2O4P" ;
dbo:inchi "InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6+" ;
dbo:iupacName "[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate"@en ;
dbo:pubchem "6107844"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=LOOAGTDYKNUDBZ-UXBLZVDNSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrfvfsC1y" ;
skos:prefLabel "broomfenvinfos-methyl"@nl .
csc:VEZXCJBBBCKRPI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2365 ;
dbo:casNumber "57-57-8" ;
dbo:formula "C3H4O2" ;
dbo:inchi "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" ;
dbo:iupacName "oxetan-2-one"@en ;
dbo:pubchem "2365"^^xsd:int ;
dbo:smiles "C1COC1=O" ;
dbp:inchikey "InChIKey=VEZXCJBBBCKRPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001243 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bppoltn" ;
skos:prefLabel "beta-propiolacton"@nl .
csc:MGNFYQILYYYUBS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91694 ;
dbo:casNumber "67306-00-7" ;
dbo:formula "C19H31N" ;
dbo:inchi "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" ;
dbo:iupacName "1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine"@en ;
dbo:pubchem "91694"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" ;
dbp:inchikey "InChIKey=MGNFYQILYYYUBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenppdn" ;
skos:prefLabel "fenpropidin"@nl .
csc:YXWCBRDRVXHABN-JCMHNJIXSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6033664 ;
dbo:casNumber "69770-45-2" ;
dbo:formula "C28H22Cl2FNO3" ;
dbo:inchi "InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3/b22-15-" ;
dbo:iupacName "['[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "6033664"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(C4=CC=C(C=C4)Cl)Cl)C" ;
dbp:inchikey "InChIKey=YXWCBRDRVXHABN-JCMHNJIXSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumtn" ;
skos:prefLabel "flumethrin"@nl .
csc:VXSNJXDZTGFDMB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36325 ;
dbo:casNumber "51550-40-4" , "33089-74-6" ;
dbo:formula "C10H15ClN2" ;
dbo:inchi "InChI=1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H" ;
dbo:iupacName "N-(2,4-dimethylphenyl)-N'-methylmethanimidamide hydrochloride"@en ;
dbo:pubchem "36325"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[NH2+]C=NC)C.[Cl-]" ;
dbp:inchikey "InChIKey=VXSNJXDZTGFDMB-UHFFFAOYSA-N" ;
skos:altLabel "n'-(2,4-dimethylfenyl)-n-methylformamidine"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N24DC1yFyNC1" ;
skos:prefLabel "N'-(2,4-dimethylfenyl)-N-methylformamidine"@nl .
csc:CHEMONTID_0000548
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000548 ;
skos:definition "Inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XMBWDFGMSWQBCA-BJUDXGSMSA-N , csc:XMBWDFGMSWQBCA-YPZZEJLDSA-N , csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N , csc:XMBWDFGMSWQBCA-NJFSPNSNSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000548" ;
skos:prefLabel "Halogen hydrides"@en .
csc:JFPVXVDWJQMJEE-SWWZKJRFSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5361202 ;
dbo:casNumber "55268-75-2" ;
dbo:formula "C16H16N4O8S" ;
dbo:inchi "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1" ;
dbo:iupacName "['(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2E)-2-furan-2-yl-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid', '(6R,7R)-3-(carbamoyloxymethyl)-7-[(2-furan-2-yl-2-methoxyiminoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid']"@en ;
dbo:pubchem "5361202"^^xsd:int ;
dbo:smiles "CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O" ;
dbp:inchikey "InChIKey=JFPVXVDWJQMJEE-SWWZKJRFSA-N" ;
skos:broader csc:CHEMONTID_0004410 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefrxm" ;
skos:prefLabel "cefuroxim"@nl .
csc:CHEMONTID_0001292
skos:narrower csc:ODZTXUXIYGJLMC-UHFFFAOYSA-N .
csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6800 ;
dbo:casNumber "85-22-3" ;
dbo:formula "C8H5Br5" ;
dbo:inchi "InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-ethylbenzene"@en ;
dbo:pubchem "6800"^^xsd:int ;
dbo:smiles "CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=FIAXCDIQXHJNIX-UHFFFAOYSA-N" ;
skos:altLabel "pentabroomethylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001098 ;
skos:exactMatch wise:CAS_85-22-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345PeBrC2y" ;
skos:prefLabel "2,3,4,5,6-pentabroomethylbenzeen"@nl ;
vcs:vmmParameterId "999"^^xsd:int .
csc:UIKROCXWUNQSPJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:408 ;
dbo:casNumber "486-56-6" ;
dbo:formula "C10H12N2O" ;
dbo:inchi "InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3" ;
dbo:iupacName "1-methyl-5-pyridin-3-ylpyrrolidin-2-one"@en ;
dbo:pubchem "408"^^xsd:int ;
dbo:smiles "CN1C(CCC1=O)C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=UIKROCXWUNQSPJ-UHFFFAOYSA-N" ;
skos:altLabel "(5s)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon"@nl ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5S1C1y53prdn" ;
skos:prefLabel "(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon"@nl .
csc:NOCJXYPHIIZEHN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:56206 ;
dbo:casNumber "98106-17-3" ;
dbo:formula "C21H19F2N3O3" ;
dbo:inchi "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)" ;
dbo:iupacName "6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "56206"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F" ;
dbp:inchikey "InChIKey=NOCJXYPHIIZEHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "difloxacine"@nl .
csc:CHEMONTID_0002838
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002838 ;
skos:definition "Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class of olefins subsumes alkenes and cycloalkenes and the corresponding polyenes."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002838" ;
skos:prefLabel "Olefins"@en .
csc:OIZXRZCQJDXPFO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:69968 ;
dbo:casNumber "72269-30-8" , "822-23-1" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3" ;
dbo:iupacName "Octadecyl acetate"@en ;
dbo:pubchem "69968"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCOC(=O)C" ;
dbp:inchikey "InChIKey=OIZXRZCQJDXPFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18yactt" ;
skos:prefLabel "octadecylacetaat"@nl .
csc:REJHVSOVQBJEBF-OWOJBTEDSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5284378 ;
dbo:casNumber "65941-98-2" , "81-11-8" ;
dbo:formula "C14H14N2O6S2" ;
dbo:inchi "InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+" ;
dbo:iupacName "['5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid']"@en ;
dbo:pubchem "5284378"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=REJHVSOVQBJEBF-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0004785 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAosb22Dsf" ;
skos:prefLabel "4,4'-diaminostilbeen-2,2'-disulfonzuur"@nl .
csc:JFALSRSLKYAFGM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23989 ;
dbo:casNumber "22541-40-8" , "7440-61-1" , "24678-82-8" , "16089-60-4" , "13598-56-6" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U" ;
dbo:iupacName "URANIUM"@en ;
dbo:pubchem "23989"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-UHFFFAOYSA-N" ;
skos:altLabel "uranium 238"@nl , "uranium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000430 ;
skos:exactMatch wise:CAS_7440-61-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U" , "U238" ;
skos:prefLabel "uranium"@nl ;
vcs:vmmParameterId "525"^^xsd:int , "524"^^xsd:int , "1978"^^xsd:int , "523"^^xsd:int .
csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3026 ;
dbo:casNumber "84-74-2" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" ;
dbo:iupacName "dibutyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "3026"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "InChIKey=DOIRQSBPFJWKBE-UHFFFAOYSA-N" ;
skos:altLabel "dibutylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-74-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yFt" ;
skos:prefLabel "di-n-butylftalaat"@nl ;
vcs:vmmParameterId "61"^^xsd:int .
csc:BPRHUIZQVSMCRT-YXWZHEERSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6439133 ;
dbo:casNumber "287714-41-4" ;
dbo:formula "C22H28FN3O6S" ;
dbo:inchi "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1" ;
dbo:iupacName "(E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid"@en ;
dbo:pubchem "6439133"^^xsd:int ;
dbo:smiles "CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=BPRHUIZQVSMCRT-YXWZHEERSA-N" ;
skos:broader csc:CHEMONTID_0002308 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rosvstne" ;
skos:prefLabel "rosuvastatine"@nl .
csc:MTBZIGHNGSTDJV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21207 ;
dbo:casNumber "5131-24-8" ;
dbo:formula "C12H14NO4PS" ;
dbo:inchi "InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "2-diethoxyphosphinothioylisoindole-1,3-dione"@en ;
dbo:pubchem "21207"^^xsd:int ;
dbo:smiles "CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC" ;
dbp:inchikey "InChIKey=MTBZIGHNGSTDJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtlfs" ;
skos:prefLabel "ditalimfos"@nl .
csc:GYVGXEWAOAAJEU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7471 ;
dbo:casNumber "99-97-8" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,4-Trimethylaniline"@en ;
dbo:pubchem "7471"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "InChIKey=GYVGXEWAOAAJEU-UHFFFAOYSA-N" ;
skos:altLabel "n,n,4-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN4TC1yAn" ;
skos:prefLabel "N,N,4-trimethylaniline"@nl .
csc:VAOCPAMSLUNLGC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4173 ;
dbo:casNumber "99616-64-5" , "443-48-1" ;
dbo:formula "C6H9N3O3" ;
dbo:inchi "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3" ;
dbo:iupacName "2-(2-methyl-5-nitroimidazol-1-yl)ethanol"@en ;
dbo:pubchem "4173"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1CCO)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=VAOCPAMSLUNLGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metndzl" ;
skos:prefLabel "metronidazol"@nl .
csc:OSAYFGJUEOYRHY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66631 ;
dbo:casNumber "89-21-4" ;
dbo:formula "C7H6ClNO3" ;
dbo:inchi "InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-1-methoxy-2-nitrobenzene"@en ;
dbo:pubchem "66631"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=OSAYFGJUEOYRHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2ansl" ;
skos:prefLabel "4-chloor-2-nitroanisool"@nl .
csc:MNOJRWOWILAHAV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11563 ;
dbo:casNumber "591-20-8" ;
dbo:formula "C6H5BrO" ;
dbo:inchi "InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H" ;
dbo:iupacName "3-BROMOPHENOL"@en ;
dbo:pubchem "11563"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Br)O" ;
dbp:inchikey "InChIKey=MNOJRWOWILAHAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3BrFol" ;
skos:prefLabel "3-broomfenol"@nl .
csc:CHEMONTID_0002902
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002902 ;
skos:definition "A group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SPBDXSGPUHCETR-MVGRHBATSA-N , csc:YZBLFMPOMVTDJY-BFPKLJSTSA-N , csc:VOZIAWLUULBIPN-DFYAAVTESA-N , csc:ZLBGSRMUSVULIE-SJRQICMCSA-N ;
skos:notation "CHEMONTID:0002902" ;
skos:prefLabel "Milbemycins"@en .
csc:KTWOOEGAPBSYNW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7611 ;
dbo:casNumber "55404-68-7" , "51364-12-6" , "102-54-5" ;
dbo:formula "C10H10Fe" ;
dbo:inchi "InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2" ;
dbo:iupacName "cyclopenta-1,3-diene; iron(+2) cation"@en ;
dbo:pubchem "7611"^^xsd:int ;
dbo:smiles "[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]" ;
dbp:inchikey "InChIKey=KTWOOEGAPBSYNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004477 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ferrcn" ;
skos:prefLabel "ferroceen"@nl .
csc:KDLHZDBZIXYQEI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23938 ;
dbo:casNumber "7440-05-3" ;
dbo:formula "Pd" ;
dbo:inchi "InChI=1S/Pd" ;
dbo:iupacName "PALLADIUM"@en ;
dbo:pubchem "23938"^^xsd:int ;
dbo:smiles "[Pd]" ;
dbp:inchikey "InChIKey=KDLHZDBZIXYQEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pd" ;
skos:prefLabel "palladium"@nl .
csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5656 ;
dbo:casNumber "93413-69-5" ;
dbo:formula "C17H27NO2" ;
dbo:inchi "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3" ;
dbo:iupacName "1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol"@en ;
dbo:pubchem "5656"^^xsd:int ;
dbo:smiles "CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O" ;
dbp:inchikey "InChIKey=PNVNVHUZROJLTJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:exactMatch wise:CAS_93413-69-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "venlfxne" ;
skos:prefLabel "venlafaxine"@nl ;
vcs:vmmParameterId "1471"^^xsd:int .
csc:CTJBHIROCMPUKL-WEVVVXLNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9571009 ;
dbo:casNumber "34681-23-7" ;
dbo:formula "C7H14N2O4S" ;
dbo:inchi "InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "9571009"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=CTJBHIROCMPUKL-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxmsfn" ;
skos:prefLabel "butocarboximsulfon"@nl .
csc:BAZVSMNPJJMILC-OLZOCXBDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93469 ;
dbo:casNumber "82200-72-4" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1" ;
dbo:iupacName "(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "93469"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=BAZVSMNPJJMILC-OLZOCXBDSA-N" ;
skos:altLabel "triadimenol-B"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TadmnlB" ;
skos:prefLabel "triadimenol-b"@nl .
csc:ZBMZVLHSJCTVON-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5253 ;
dbo:casNumber "27948-47-6" , "3930-20-9" ;
dbo:formula "C12H20N2O3S" ;
dbo:inchi "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3" ;
dbo:iupacName "N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide"@en ;
dbo:pubchem "5253"^^xsd:int ;
dbo:smiles "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O" ;
dbp:inchikey "InChIKey=ZBMZVLHSJCTVON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sotll" ;
skos:prefLabel "sotalol"@nl .
csc:MBEBPYJMHLBHDJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25211 ;
dbo:casNumber "10375-96-9" ;
dbo:formula "C14H22" ;
dbo:inchi "InChI=1S/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3" ;
dbo:iupacName "1,4-dimethyl-2,5-di(propan-2-yl)benzene"@en ;
dbo:pubchem "25211"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C(C)C)C)C(C)C" ;
dbp:inchikey "InChIKey=MBEBPYJMHLBHDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1y25DiC3" ;
skos:prefLabel "1,4-dimethyl-2,5-diisopropylbenzeen"@nl .
csc:FAEKWTJYAYMJKF-QHCPKHFHSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:65981 ;
dbo:casNumber "135062-02-1" ;
dbo:formula "C27H36N2O4" ;
dbo:inchi "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1" ;
dbo:iupacName "2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid"@en ;
dbo:pubchem "65981"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O" ;
dbp:inchikey "InChIKey=FAEKWTJYAYMJKF-QHCPKHFHSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "repgnde" ;
skos:prefLabel "repaglinide"@nl .
csc:VOEYXMAFNDNNED-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14322 ;
dbo:casNumber "1129-41-5" ;
dbo:formula "C9H11NO2" ;
dbo:inchi "InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)" ;
dbo:iupacName "(3-methylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "14322"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)OC(=O)NC" ;
dbp:inchikey "InChIKey=VOEYXMAFNDNNED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcb" ;
skos:prefLabel "metolcarb"@nl .
csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4929 ;
dbo:casNumber "83653-07-0" , "7287-19-6" ;
dbo:formula "C10H19N5S" ;
dbo:inchi "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4929"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)NC(C)C" ;
dbp:inchikey "InChIKey=AAEVYOVXGOFMJO-UHFFFAOYSA-N" ;
skos:altLabel "prometryne"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_7287-19-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtne" ;
skos:prefLabel "prometryn"@nl ;
vcs:vmmParameterId "530"^^xsd:int .
csc:CHEMONTID_0004162
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004162 ;
skos:definition "Organic compounds containing an indole moiety that carries a hydroxyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JHFAEUICJHBVHB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004162" ;
skos:prefLabel "Hydroxyindoles"@en .
csc:ZDLMBNHYTPHDLF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38025 ;
dbo:casNumber "38411-25-5" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38025"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZDLMBNHYTPHDLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB174" ;
skos:prefLabel "2,2',3,3',4,5,6'-heptachloorbifenyl"@nl .
csc:QWDBCIAVABMJPP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11799 ;
dbo:casNumber "605-45-8" ;
dbo:formula "C14H18O4" ;
dbo:inchi "InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "dipropan-2-yl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "11799"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "InChIKey=QWDBCIAVABMJPP-UHFFFAOYSA-N" ;
skos:altLabel "diisopropylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yFt" ;
skos:prefLabel "di-isopropylftalaat"@nl .
csc:UUGLSEIATNSHRI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:79372 ;
dbo:casNumber "100091-50-7" , "5395-50-6" , "53272-25-6" ;
dbo:formula "C8H14N4O6" ;
dbo:inchi "InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2" ;
dbo:iupacName "1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione"@en ;
dbo:pubchem "79372"^^xsd:int ;
dbo:smiles "C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O" ;
dbp:inchikey "InChIKey=UUGLSEIATNSHRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001149 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1olactlDu" ;
skos:prefLabel "tetramethanol-acetyleendiureum"@nl .
csc:OXNIZHLAWKMVMX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6954 ;
dbo:casNumber "189195-39-9" , "29663-11-4" , "190402-10-9" , "88-89-1" ;
dbo:formula "C6H3N3O7" ;
dbo:inchi "InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H" ;
dbo:iupacName "2,4,6-Trinitrophenol"@en ;
dbo:pubchem "6954"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=OXNIZHLAWKMVMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TNO2Fol" ;
skos:prefLabel "2,4,6-trinitrofenol"@nl .
csc:CHEMONTID_0002334
skos:narrower csc:FKLFBQCQQYDUAM-UHFFFAOYSA-N , csc:CWFOCCVIPCEQCK-UHFFFAOYSA-N .
csc:STVZJERGLQHEKB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7355 ;
dbo:casNumber "141104-76-9" , "25721-76-0" , "97-90-5" , "156940-26-0" , "92308-31-1" , "156932-37-5" , "170006-96-9" , "216753-70-7" , "51026-92-7" , "205501-13-9" , "138454-60-1" , "156168-97-7" , "135623-36-8" , "56480-56-9" , "25852-47-5" , "121978-90-3" , "138533-09-2" , "73212-53-0" , "81897-47-4" , "62886-53-7" , "130865-23-5" , "37211-46-4" , "108772-05-0" , "37311-07-2" , "154855-14-8" , "121266-93-1" , "12738-39-5" ;
dbo:formula "C10H14O4" ;
dbo:inchi "InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3" ;
dbo:iupacName "2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7355"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCOC(=O)C(=C)C" ;
dbp:inchikey "InChIKey=STVZJERGLQHEKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ezr2C1y11" ;
skos:prefLabel "2-propeenzuur,2-methyl-,1,1'-(1,2-ethaandiyl)ester"@nl .
csc:PSIFNNKUMBGKDQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3961 ;
dbo:casNumber "114798-26-4" ;
dbo:formula "C22H23ClN6O" ;
dbo:inchi "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)" ;
dbo:iupacName "[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol"@en ;
dbo:pubchem "3961"^^xsd:int ;
dbo:smiles "CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl" ;
dbp:inchikey "InChIKey=PSIFNNKUMBGKDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lostan" ;
skos:prefLabel "losartan"@nl .
csc:OHBQPCCCRFSCAX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9016 ;
dbo:casNumber "150-78-7" ;
dbo:formula "C8H10O2" ;
dbo:inchi "InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3" ;
dbo:iupacName "1,4-Dimethoxybenzene"@en ;
dbo:pubchem "9016"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=OHBQPCCCRFSCAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1oxBen" ;
skos:prefLabel "1,4-dimethoxybenzeen"@nl .
csc:OXHDYFKENBXUEM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17112 ;
dbo:casNumber "174491-49-7" , "2439-99-8" , "174491-47-5" , "174491-50-0" ;
dbo:formula "C4H11NO8P2" ;
dbo:inchi "InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)" ;
dbo:iupacName "2-(bis(phosphonomethyl)amino)acetic acid"@en ;
dbo:pubchem "17112"^^xsd:int ;
dbo:smiles "C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O" ;
dbp:inchikey "InChIKey=OXHDYFKENBXUEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsnt" ;
skos:prefLabel "glyfosine"@nl .
csc:YAIKCRUPEVOINQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8338 ;
dbo:casNumber "117-62-4" ;
dbo:formula "C10H9NO6S2" ;
dbo:inchi "InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)" ;
dbo:iupacName "2-Aminonaphthalene-1,5-disulfonic acid"@en ;
dbo:pubchem "8338"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=YAIKCRUPEVOINQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoNaf15Dsfz" ;
skos:prefLabel "2-aminonaftaleen-1,5-disulfonzuur"@nl .
csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7914 ;
dbo:casNumber "108-20-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2-propan-2-yloxypropane"@en ;
dbo:pubchem "7914"^^xsd:int ;
dbo:smiles "CC(C)OC(C)C" ;
dbp:inchikey "InChIKey=ZAFNJMIOTHYJRJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_008 , co:LUC_IV_011 ;
skos:altLabel "di-isopropylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yEtr" ;
skos:prefLabel "diisopropylether"@nl .
csc:NIKBCKTWWPVAIC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6642 ;
dbo:casNumber "80-44-4" ;
dbo:formula "C10H14O3S" ;
dbo:inchi "InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" ;
dbo:iupacName "Butyl benzenesulfonate"@en ;
dbo:pubchem "6642"^^xsd:int ;
dbo:smiles "CCCCOS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NIKBCKTWWPVAIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBensfnt" ;
skos:prefLabel "butylbenzeensulfonaat"@nl .
csc:YGSDEFSMJLZEOE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:338 ;
dbo:casNumber "69-72-7" , "7681-06-3" , "8052-31-1" ;
dbo:formula "C7H6O3" ;
dbo:inchi "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" ;
dbo:iupacName "2-Hydroxybenzoic acid"@en ;
dbo:pubchem "338"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)O)O" ;
dbp:inchikey "InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002514 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "salczr" ;
skos:prefLabel "salicylzuur"@nl .
csc:SSZWWUDQMAHNAQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7290 ;
dbo:casNumber "96-24-2" , "69420-22-0" , "52340-46-2" ;
dbo:formula "C3H7ClO2" ;
dbo:inchi "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" ;
dbo:iupacName "3-Chloropropane-1,2-diol"@en ;
dbo:pubchem "7290"^^xsd:int ;
dbo:smiles "C(C(CCl)O)O" ;
dbp:inchikey "InChIKey=SSZWWUDQMAHNAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MClhdne" ;
skos:prefLabel "monochloorhydrine"@nl .
csc:SRSXLGNVWSONIS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7371 ;
dbo:casNumber "98-11-3" ;
dbo:formula "C6H6O3S" ;
dbo:inchi "InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)" ;
dbo:iupacName "BENZENESULFONIC ACID"@en ;
dbo:pubchem "7371"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=SRSXLGNVWSONIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bensfzr" ;
skos:prefLabel "benzeensulfonzuur"@nl .
csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'vinylchloride'"@nl , "VLAREM bijlage 2.5.1 'monovinylchloride'"@nl , "VLAR II Art. 5.7.7.1"@nl ;
rdfs:seeAlso compound:6338 ;
dbo:casNumber "9002-86-2" , "75-01-4" ;
dbo:formula "C2H3Cl" ;
dbo:inchi "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" ;
dbo:iupacName "Chloroethene"@en ;
dbo:pubchem "6338"^^xsd:int ;
dbo:smiles "C=CCl" ;
dbp:inchikey "InChIKey=BZHJMEDXRYGGRV-UHFFFAOYSA-N" ;
skos:altLabel "chlooretheen (vinylchloride)"@nl , "vinylchloride"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_75-01-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC2e" ;
skos:prefLabel "vinylchloride "@nl ;
vcs:vmmParameterId "570"^^xsd:int .
csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11844 ;
dbo:casNumber "27134-27-6" , "608-27-5" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2" ;
dbo:iupacName "2,3-Dichloroaniline"@en ;
dbo:pubchem "11844"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N" ;
dbp:inchikey "InChIKey=BRPSAOUFIJSKOT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_608-27-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClAn" ;
skos:prefLabel "2,3-dichlooraniline"@nl ;
vcs:vmmParameterId "43"^^xsd:int .
csc:KGKGSIUWJCAFPX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15968 ;
dbo:casNumber "1918-13-4" ;
dbo:formula "C7H5Cl2NS" ;
dbo:inchi "InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzenecarbothioamide"@en ;
dbo:pubchem "15968"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=N)S)Cl" ;
dbp:inchikey "InChIKey=KGKGSIUWJCAFPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CltaAd" ;
skos:prefLabel "chloorthiamide"@nl .
csc:CHEMONTID_0000023
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000023 ;
skos:definition "Compounds containing a naphthalene moiety, which consists of two fused benzene rings."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OQRMWUNUKVUHQO-UHFFFAOYSA-N , csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N , csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N , csc:CMWTZPSULFXXJA-UHFFFAOYSA-N , csc:ZEUITGRIYCTCEM-KRWDZBQOSA-N , csc:JXTHEWSKYLZVJC-UHFFFAOYSA-N , csc:HAXBIWFMXWRORI-UHFFFAOYSA-N , csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N , csc:QPUYECUOLPXSFR-UHFFFAOYSA-N , csc:YJMNOKOLADGBKA-UHFFFAOYSA-N , csc:CBMXCNPQDUJNHT-UHFFFAOYSA-N , csc:YPXOPAFVVHXQDP-ZZEZOPTASA-N , csc:AFOVBPMGZPJPKX-UHFFFAOYSA-N , csc:GWLLTEXUIOFAFE-UHFFFAOYSA-N , csc:PRPINYUDVPFIRX-UHFFFAOYSA-N , csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N , csc:ZMXIYERNXPIYFR-UHFFFAOYSA-N , csc:XFNJVKMNNVCYEK-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:APQSQLNWAIULLK-UHFFFAOYSA-N , csc:WXZVAROIGSFCFJ-UHFFFAOYSA-N , csc:RUFPHBVGCFYCNW-UHFFFAOYSA-N , csc:QIMMUPPBPVKWKM-UHFFFAOYSA-N , csc:LUZDYPLAQQGJEA-UHFFFAOYSA-N , csc:WWGUMAYGTYQSGA-UHFFFAOYSA-N , csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N , csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N , csc:PYZSVQVRHDXQSL-UHFFFAOYSA-N , csc:ZMRUPTIKESYGQW-UHFFFAOYSA-N , csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N , csc:ZONYAPYTDIVJGG-VLGSPTGOSA-N ;
skos:notation "CHEMONTID:0000023" ;
skos:prefLabel "Naphthalenes"@en .
csc:HOPMUCXYRNOABF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40481 ;
dbo:casNumber "52663-74-8" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(9(16)7(14)2-4)6-3-8(15)11(18)12(19)10(6)17/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40481"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HOPMUCXYRNOABF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB172" ;
skos:prefLabel "2,2',3,3',4,5,5'-heptachloorbifenyl"@nl .
csc:KBPLFHHGFOOTCA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:957 ;
dbo:casNumber "68603-15-6" , "67700-96-3" , "111-87-5" , "220713-26-8" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" ;
dbo:iupacName "OCTAN-1-OL"@en ;
dbo:pubchem "957"^^xsd:int ;
dbo:smiles "CCCCCCCCO" ;
dbp:inchikey "InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C8ol" ;
skos:prefLabel "1-octanol"@nl .
csc:DNXXUUPUQXSUFH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:68191 ;
dbo:casNumber "515-40-2" ;
dbo:formula "C10H13Cl" ;
dbo:inchi "InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" ;
dbo:iupacName "(1-chloro-2-methylpropan-2-yl)benzene"@en ;
dbo:pubchem "68191"^^xsd:int ;
dbo:smiles "CC(C)(CCl)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=DNXXUUPUQXSUFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl11DC1yC2y" ;
skos:prefLabel "2-chloor-1,1-dimethylethylbenzeen"@nl .
csc:RZJRJXONCZWCBN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11635 ;
dbo:casNumber "593-45-3" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" ;
dbo:iupacName "Octadecane"@en ;
dbo:pubchem "11635"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=RZJRJXONCZWCBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18a" ;
skos:prefLabel "octadecaan"@nl .
csc:VDFVNEFVBPFDSB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10450 ;
dbo:casNumber "505-22-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2" ;
dbo:iupacName "1,3-DIOXANE"@en ;
dbo:pubchem "10450"^^xsd:int ;
dbo:smiles "C1COCOC1" ;
dbp:inchikey "InChIKey=VDFVNEFVBPFDSB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DOxan" ;
skos:prefLabel "1,3-dioxaan"@nl .
csc:CHEMONTID_0000081
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000081 ;
skos:definition "Heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KGVPNLBXJKTABS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000081" ;
skos:prefLabel "Isoxazoles"@en .
csc:HZEBHPIOVYHPMT-OUBTZVSYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328544 ;
dbo:casNumber "13981-52-7" ;
dbo:formula "Po" ;
dbo:inchi "InChI=1S/Po/i1+1" ;
dbo:iupacName "polonium-210"@en ;
dbo:pubchem "6328544"^^xsd:int ;
dbo:smiles "[Po]" ;
dbp:inchikey "InChIKey=HZEBHPIOVYHPMT-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Po210" ;
skos:prefLabel "polonium 210"@nl .
csc:DSBIJCMXAIKKKI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7444 ;
dbo:casNumber "99-55-8" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methyl-5-nitroaniline"@en ;
dbo:pubchem "7444"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=DSBIJCMXAIKKKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5NO2otlidne" ;
skos:prefLabel "5-nitro-ortho-toluidine"@nl .
csc:CHEMONTID_0004682
skos:narrower csc:VGHPMIFEKOFHHQ-UHFFFAOYSA-N .
csc:SSIZLKDLDKIHEV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11847 ;
dbo:casNumber "608-33-3" ;
dbo:formula "C6H4Br2O" ;
dbo:inchi "InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H" ;
dbo:iupacName "2,6-Dibromophenol"@en ;
dbo:pubchem "11847"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)O)Br" ;
dbp:inchikey "InChIKey=SSIZLKDLDKIHEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002768 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DBrFol" ;
skos:prefLabel "2,6-dibroomfenol"@nl .
csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37034 ;
dbo:casNumber "35065-27-1" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37034"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MVWHGTYKUMDIHL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',4,4',5,5'-hexachloorbifenyl"@nl , "pcb 153"@nl , "2,2',4,4',5,5'-hexachloorbifenyl (pcb153)"@nl , "pcb-153"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-27-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB153" ;
skos:prefLabel "PCB-153"@nl ;
vcs:vmmParameterId "1415"^^xsd:int , "438"^^xsd:int .
csc:CHEMONTID_0003455
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003455 ;
skos:definition "Organic compounds containing a sulfate group that carries one or two O-ester groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003455" ;
skos:prefLabel "Sulfuric acid esters"@en .
csc:CHEMONTID_0002228
skos:narrower csc:HPNMFZURTQLUMO-UHFFFAOYSA-N , csc:IQDGSYLLQPDQDV-UHFFFAOYSA-N , csc:UAOMVDZJSHZZME-UHFFFAOYSA-N , csc:CWYZDPHNAGSFQB-UHFFFAOYSA-N , csc:RPNUMPOLZDHAAY-UHFFFAOYSA-N , csc:OKRJGUKZYSEUOY-UHFFFAOYSA-N , csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N , csc:VILCJCGEZXAXTO-UHFFFAOYSA-N , csc:JQVDAXLFBXTEQA-UHFFFAOYSA-N , csc:FAGUFWYHJQFNRV-UHFFFAOYSA-N , csc:LSHROXHEILXKHM-UHFFFAOYSA-N , csc:WEHWNAOGRSTTBQ-UHFFFAOYSA-N , csc:OBYVIBDTOCAXSN-UHFFFAOYSA-N .
csc:LMNZTLDVJIUSHT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12901 ;
dbo:casNumber "732-11-6" , "5104-30-3" ;
dbo:formula "C11H12NO4PS2" ;
dbo:inchi "InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" ;
dbo:iupacName "2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "12901"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "InChIKey=LMNZTLDVJIUSHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosmt" ;
skos:prefLabel "fosmet"@nl .
csc:CHEMONTID_0000002
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000002 ;
skos:definition "Compounds containing a ring with least one carbon atom and one non-carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JMYWPEQXUQGQNF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000002" ;
skos:prefLabel "Organoheterocyclic compounds"@en .
csc:DVBJBNKEBPCGSY-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8816 ;
dbo:casNumber "140-72-7" ;
dbo:formula "C21H38BrN" ;
dbo:inchi "InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "1-hexadecylpyridin-1-ium bromide"@en ;
dbo:pubchem "8816"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]" ;
dbp:inchikey "InChIKey=DVBJBNKEBPCGSY-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "hexadecylpyridinium"@nl .
csc:CHEMONTID_0004603
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004603 ;
skos:definition "Organic compounds that contain one or more oxygen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004603" ;
skos:prefLabel "Organic oxygen compounds"@en .
csc:CIFWZNRJIBNXRE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86296 ;
dbo:casNumber "110235-47-7" ;
dbo:formula "C14H13N3" ;
dbo:inchi "InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)" ;
dbo:iupacName "4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine"@en ;
dbo:pubchem "86296"^^xsd:int ;
dbo:smiles "CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CIFWZNRJIBNXRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepnprm" ;
skos:prefLabel "mepanipyrim"@nl .
csc:DENRZWYUOJLTMF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6163 ;
dbo:casNumber "64-67-5" , "182115-04-4" , "98503-29-8" ;
dbo:formula "C4H10O4S" ;
dbo:inchi "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "Diethyl sulfate"@en ;
dbo:pubchem "6163"^^xsd:int ;
dbo:smiles "CCOS(=O)(=O)OCC" ;
dbp:inchikey "InChIKey=DENRZWYUOJLTMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2ySO4" ;
skos:prefLabel "diethylsulfaat"@nl .
csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9153 ;
dbo:casNumber "205-99-2" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene"@en ;
dbo:pubchem "9153"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1" ;
dbp:inchikey "InChIKey=FTOVXSOBNPWTSH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(b)fluorantheen (b)"@nl , "benzo(b)fluorantheen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_205-99-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BbF" ;
skos:prefLabel "benzo(b)fluoran-teen"@nl ;
vcs:vmmParameterId "422"^^xsd:int , "1424"^^xsd:int .
csc:FOANIXZHAMJWOI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28936 ;
dbo:casNumber "18181-80-1" , "39394-17-7" ;
dbo:formula "C17H16Br2O3" ;
dbo:inchi "InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3" ;
dbo:iupacName "propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "28936"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O" ;
dbp:inchikey "InChIKey=FOANIXZHAMJWOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brpplt" ;
skos:prefLabel "broompropylaat"@nl .
csc:IANUJLZYFUDJIH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86429 ;
dbo:casNumber "142459-58-3" ;
dbo:formula "C14H13F4N3O2S" ;
dbo:inchi "InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3" ;
dbo:iupacName "N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide"@en ;
dbo:pubchem "86429"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F" ;
dbp:inchikey "InChIKey=IANUJLZYFUDJIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_142459-58-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnct" ;
skos:prefLabel "flufenacet"@nl ;
vcs:vmmParameterId "976"^^xsd:int .
csc:AHANXAKGNAKFSK-IUQGRGSQSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5282827 ;
dbo:casNumber "2091-27-2" ;
dbo:formula "C20H34O2" ;
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+" ;
dbo:iupacName "['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid']"@en ;
dbo:pubchem "5282827"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=AHANXAKGNAKFSK-IUQGRGSQSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c111417C20aT" ;
skos:prefLabel "cis-11,14,17-eicosatrieenzuur"@nl .
csc:XRJLAOUDSILTFT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91665 ;
dbo:casNumber "57369-32-1" , "84930-99-4" ;
dbo:formula "C11H11NO" ;
dbo:inchi "InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2" ;
dbo:iupacName "1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one"@en ;
dbo:pubchem "91665"^^xsd:int ;
dbo:smiles "C1CC(=O)N2CCC3=CC=CC1=C32" ;
dbp:inchikey "InChIKey=XRJLAOUDSILTFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrqln" ;
skos:prefLabel "pyroquilon"@nl .
csc:CHEMONTID_0002769
skos:narrower csc:FAXWFCTVSHEODL-UHFFFAOYSA-N , csc:BSWWXRFVMJHFBN-UHFFFAOYSA-N .
csc:NLXLAEXVIDQMFP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25517 ;
dbo:casNumber "50295-88-0" , "128532-42-3" , "54450-56-5" , "55871-05-1" , "154383-48-9" , "89485-85-8" , "15630-61-2" , "12125-02-9" , "127634-24-6" , "20548-08-7" , "89485-84-7" , "75944-36-4" ;
dbo:formula "ClH4N" ;
dbo:inchi "InChI=1S/ClH.H3N/h1H;1H3" ;
dbo:iupacName "azanium chloride"@en ;
dbo:pubchem "25517"^^xsd:int ;
dbo:smiles "[NH4+].[Cl-]" ;
dbp:inchikey "InChIKey=NLXLAEXVIDQMFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4Cl" ;
skos:prefLabel "ammoniumchloride"@nl .
csc:GRYLNZFGIOXLOG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:944 ;
dbo:casNumber "68412-17-9" , "7697-37-2" , "218625-70-8" , "78989-43-2" , "12507-77-6" ;
dbo:formula "HNO3" ;
dbo:inchi "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" ;
dbo:iupacName "Nitric acid"@en ;
dbo:pubchem "944"^^xsd:int ;
dbo:smiles "[N+](=O)(O)[O-]" ;
dbp:inchikey "InChIKey=GRYLNZFGIOXLOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001062 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HNO3" ;
skos:prefLabel "salpeterzuur"@nl .
csc:DWRKFAJEBUWTQM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91673 ;
dbo:casNumber "60207-93-4" , "71245-23-3" ;
dbo:formula "C14H15Cl2N3O2" ;
dbo:inchi "InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "91673"^^xsd:int ;
dbo:smiles "CCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=DWRKFAJEBUWTQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etcnzl" ;
skos:prefLabel "etaconazool"@nl .
csc:XCSNRORTQRKCHB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6740 ;
dbo:casNumber "83-42-1" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-2-methyl-3-nitrobenzene"@en ;
dbo:pubchem "6740"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XCSNRORTQRKCHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_83-42-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6NO2Tol" ;
skos:prefLabel "2-chloor-6-nitrotolueen"@nl ;
vcs:vmmParameterId "771"^^xsd:int .
csc:RWCCWEUUXYIKHB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3102 ;
dbo:casNumber "119-61-9" ;
dbo:formula "C13H10O" ;
dbo:inchi "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "di(phenyl)methanone"@en ;
dbo:pubchem "3102"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=RWCCWEUUXYIKHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzfnn" ;
skos:prefLabel "benzofenon"@nl .
csc:FSGNOVKGEXRRHD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:89040 ;
dbo:casNumber "21757-82-4" ;
dbo:formula "C10H7Cl5O2" ;
dbo:inchi "InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3" ;
dbo:iupacName "[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate"@en ;
dbo:pubchem "89040"^^xsd:int ;
dbo:smiles "CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=FSGNOVKGEXRRHD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "plifnt" ;
skos:prefLabel "plifenaat"@nl .
csc:XMTQQYYKAHVGBJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3120 ;
dbo:casNumber "330-54-1" , "56449-18-4" , "127641-75-2" , "150825-44-8" , "201749-62-4" , "102962-29-8" ;
dbo:formula "C9H10Cl2N2O" ;
dbo:inchi "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(3,4-Dichlorophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "3120"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_330-54-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Durn" ;
skos:prefLabel "diuron"@nl ;
vcs:vmmParameterId "273"^^xsd:int .
csc:CHEMONTID_0000060
skos:narrower csc:HYHJOUPYTUBFIX-UHFFFAOYSA-N , csc:YIKSCQDJHCMVMK-UHFFFAOYSA-N , csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N , csc:CLQMBPJKHLGMQK-UHFFFAOYSA-N , csc:LMVPQMGRYSRMIW-KRWDZBQOSA-N , csc:OXHDYFKENBXUEM-UHFFFAOYSA-N , csc:NUPJIGQFXCQJBK-UHFFFAOYSA-N , csc:XVOKUMIPKHGGTN-UHFFFAOYSA-N , csc:ZEKANFGSDXODPD-UHFFFAOYSA-N , csc:XDDAORKBJWWYJS-UHFFFAOYSA-N , csc:HYJSGOXICXYZGS-UHFFFAOYSA-N , csc:RXVCHKFNBPFYCC-UHFFFAOYSA-N .
csc:PPKPKFIWDXDAGC-IHWYPQMZSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5463459 ;
dbo:casNumber "563-54-2" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2-" ;
dbo:iupacName "(Z)-1,2-dichloroprop-1-ene"@en ;
dbo:pubchem "5463459"^^xsd:int ;
dbo:smiles "CC(=CCl)Cl" ;
dbp:inchikey "InChIKey=PPKPKFIWDXDAGC-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC3e" ;
skos:prefLabel "1,2-dichloorpropeen"@nl .
cscl:class a xkos:ClassificationLevel ;
xkos:depth "3"^^xsd:positiveInteger ;
skos:definition "Classes typically consist of more spe-cific chemical categories with more specific and recogniz-able structural features (pyrimidine nucleosides, flavanols, benzazepines, actinide salts). Chemical Classes usually contain >100,000 known compounds. "@en ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:CHEMONTID_0000305 , csc:CHEMONTID_0001506 , csc:CHEMONTID_0002693 , csc:CHEMONTID_0000429 , csc:CHEMONTID_0000436 , csc:CHEMONTID_0002490 , csc:CHEMONTID_0000134 , csc:CHEMONTID_0001515 , csc:CHEMONTID_0002865 , csc:CHEMONTID_0002566 , csc:CHEMONTID_0000315 , csc:CHEMONTID_0000301 , csc:CHEMONTID_0002506 , csc:CHEMONTID_0002868 , csc:CHEMONTID_0004659 , csc:CHEMONTID_0000089 , csc:CHEMONTID_0002648 , csc:CHEMONTID_0000295 , csc:CHEMONTID_0004475 , csc:CHEMONTID_0000029 , csc:CHEMONTID_0000428 , csc:CHEMONTID_0001157 , csc:CHEMONTID_0000453 , csc:CHEMONTID_0001198 , csc:CHEMONTID_0000446 , csc:CHEMONTID_0004441 , csc:CHEMONTID_0000058 , csc:CHEMONTID_0000107 , csc:CHEMONTID_0002118 , csc:CHEMONTID_0002285 , csc:CHEMONTID_0000025 , csc:CHEMONTID_0001523 , csc:CHEMONTID_0001346 , csc:CHEMONTID_0003385 , csc:CHEMONTID_0002389 , csc:CHEMONTID_0002100 , csc:CHEMONTID_0000458 , csc:CHEMONTID_0000020 , csc:CHEMONTID_0000233 , csc:CHEMONTID_0004788 , csc:CHEMONTID_0000426 , csc:CHEMONTID_0002867 , csc:CHEMONTID_0003094 , csc:CHEMONTID_0000090 , csc:CHEMONTID_0001510 , csc:CHEMONTID_0000461 , csc:CHEMONTID_0002650 , csc:CHEMONTID_0000106 , csc:CHEMONTID_0000238 , csc:CHEMONTID_0003631 , csc:CHEMONTID_0004436 , csc:CHEMONTID_0000430 , csc:CHEMONTID_0004144 , csc:CHEMONTID_0000259 , csc:CHEMONTID_0000018 , csc:CHEMONTID_0004189 , csc:CHEMONTID_0000103 , csc:CHEMONTID_0000425 , csc:CHEMONTID_0002279 , csc:CHEMONTID_0000130 , csc:CHEMONTID_0000510 , csc:CHEMONTID_0000019 , csc:CHEMONTID_0000491 , csc:CHEMONTID_0000175 , csc:CHEMONTID_0002319 , csc:CHEMONTID_0000459 , csc:CHEMONTID_0001516 , csc:CHEMONTID_0000224 , csc:CHEMONTID_0000368 , csc:CHEMONTID_0004484 , csc:CHEMONTID_0000048 , csc:CHEMONTID_0003633 , csc:CHEMONTID_0001209 , csc:CHEMONTID_0000455 , csc:CHEMONTID_0003940 , csc:CHEMONTID_0002466 , csc:CHEMONTID_0000021 , csc:CHEMONTID_0004812 , csc:CHEMONTID_0001983 , csc:CHEMONTID_0000364 , csc:CHEMONTID_0000480 , csc:CHEMONTID_0004524 , csc:CHEMONTID_0002528 , csc:CHEMONTID_0002749 , csc:CHEMONTID_0000050 , csc:CHEMONTID_0003260 , csc:CHEMONTID_0001253 , csc:CHEMONTID_0001862 , csc:CHEMONTID_0000265 , csc:CHEMONTID_0001370 , csc:CHEMONTID_0000442 , csc:CHEMONTID_0000294 , csc:CHEMONTID_0004474 , csc:CHEMONTID_0003412 , csc:CHEMONTID_0004149 , csc:CHEMONTID_0000427 , csc:CHEMONTID_0001859 , csc:CHEMONTID_0000445 , csc:CHEMONTID_0000454 , csc:CHEMONTID_0000076 , csc:CHEMONTID_0001396 , csc:CHEMONTID_0003909 , csc:CHEMONTID_0000293 , csc:CHEMONTID_0000027 , csc:CHEMONTID_0000097 , csc:CHEMONTID_0000389 , csc:CHEMONTID_0002754 , csc:CHEMONTID_0001234 , csc:CHEMONTID_0003370 , csc:CHEMONTID_0001850 , csc:CHEMONTID_0000444 , csc:CHEMONTID_0000419 , csc:CHEMONTID_0000278 , csc:CHEMONTID_0000437 , csc:CHEMONTID_0000302 , csc:CHEMONTID_0000023 , csc:CHEMONTID_0000402 , csc:CHEMONTID_0001270 , csc:CHEMONTID_0000296 , csc:CHEMONTID_0002491 , csc:CHEMONTID_0002799 , csc:CHEMONTID_0001853 , csc:CHEMONTID_0000463 , csc:CHEMONTID_0002866 , csc:CHEMONTID_0000456 , csc:CHEMONTID_0000433 , csc:CHEMONTID_0002507 , csc:CHEMONTID_0002485 , csc:CHEMONTID_0001816 , csc:CHEMONTID_0000064 , csc:CHEMONTID_0000145 , csc:CHEMONTID_0004502 , csc:CHEMONTID_0002323 , csc:CHEMONTID_0001465 , csc:CHEMONTID_0001614 , csc:CHEMONTID_0001797 , csc:CHEMONTID_0002106 , csc:CHEMONTID_0000181 , csc:CHEMONTID_0002341 , csc:CHEMONTID_0004434 , csc:CHEMONTID_0001729 , csc:CHEMONTID_0001819 , csc:CHEMONTID_0000309 , csc:CHEMONTID_0001202 , csc:CHEMONTID_0002012 , csc:CHEMONTID_0001187 , csc:CHEMONTID_0002338 , csc:CHEMONTID_0000432 , csc:CHEMONTID_0001438 , csc:CHEMONTID_0001303 , csc:CHEMONTID_0000039 , csc:CHEMONTID_0002800 , csc:CHEMONTID_0000476 , csc:CHEMONTID_0002551 , csc:CHEMONTID_0000253 , csc:CHEMONTID_0000147 , csc:CHEMONTID_0000435 , csc:CHEMONTID_0000311 , csc:CHEMONTID_0001455 , csc:CHEMONTID_0000323 , csc:CHEMONTID_0000211 , csc:CHEMONTID_0001851 , csc:CHEMONTID_0000472 , csc:CHEMONTID_0000431 , csc:CHEMONTID_0000159 , csc:CHEMONTID_0003934 , csc:CHEMONTID_0001813 , csc:CHEMONTID_0000317 , csc:CHEMONTID_0000098 , csc:CHEMONTID_0001518 , csc:CHEMONTID_0000756 , csc:CHEMONTID_0000434 , csc:CHEMONTID_0004477 , csc:CHEMONTID_0000218 , csc:CHEMONTID_0000123 , csc:CHEMONTID_0000307 , csc:CHEMONTID_0000457 , csc:CHEMONTID_0000403 , csc:CHEMONTID_0003886 , csc:CHEMONTID_0001443 , csc:CHEMONTID_0003467 , csc:CHEMONTID_0002679 , csc:CHEMONTID_0001517 , csc:CHEMONTID_0000195 , csc:CHEMONTID_0000460 , csc:CHEMONTID_0000160 , csc:CHEMONTID_0002955 , csc:CHEMONTID_0000258 ;
skos:prefLabel "Klasse"@nl .
csc:CHEMONTID_0000458
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000458 ;
skos:definition "Inorganic compounds belonging either to the post-transition metal hydrides, post-transition metal nitrides, post-transition metal oxides, or the post-transition metal sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000458" ;
skos:prefLabel "Post-transition metal organides"@en .
csc:LLEMOWNGBBNAJR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7017 ;
dbo:casNumber "39387-78-5" , "192076-92-9" , "90-43-7" , "61788-42-9" ;
dbo:formula "C12H10O" ;
dbo:inchi "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" ;
dbo:iupacName "2-Phenylphenol"@en ;
dbo:pubchem "7017"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2O" ;
dbp:inchikey "InChIKey=LLEMOWNGBBNAJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyFol" ;
skos:prefLabel "2-fenylfenol"@nl .
csc:BAVYZALUXZFZLV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6329 ;
dbo:casNumber "42939-70-8" , "85404-17-7" , "119775-09-6" , "74-89-5" ;
dbo:formula "CH5N" ;
dbo:inchi "InChI=1S/CH5N/c1-2/h2H2,1H3" ;
dbo:iupacName "Methanamine"@en ;
dbo:pubchem "6329"^^xsd:int ;
dbo:smiles "CN" ;
dbp:inchikey "InChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-N" ;
skos:altLabel "methylamine "@nl , "methylamine"@nl ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC1yAe" ;
skos:prefLabel "monomethylamine"@nl .
csc:CHEMONTID_0002207
skos:narrower csc:JARYYMUOCXVXNK-CSLFJTBJSA-N , csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N , csc:CZMRCDWAGMRECN-UGDNZRGBSA-N .
csc:TUBQDCKAWGHZPF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:30692 ;
dbo:casNumber "21564-17-0" , "56532-60-6" , "6441-45-8" , "56996-45-3" , "64441-45-8" ;
dbo:formula "C9H6N2S3" ;
dbo:inchi "InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2" ;
dbo:iupacName "2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole"@en ;
dbo:pubchem "30692"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SCSC#N" ;
dbp:inchikey "InChIKey=TUBQDCKAWGHZPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TCMTB" ;
skos:prefLabel "2-(thiocyanomethylthio)benzothiazool"@nl .
csc:UCRQJBCLZKHOGX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98257 ;
dbo:casNumber "13432-25-2" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylhexan-3-ol"@en ;
dbo:pubchem "98257"^^xsd:int ;
dbo:smiles "CCC(C)C(C(C)C)O" ;
dbp:inchikey "InChIKey=UCRQJBCLZKHOGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1y3C6ol" ;
skos:prefLabel "2,4-dimethyl-3-hexanol"@nl .
csc:KZCBXHSWMMIEQU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16493 ;
dbo:casNumber "2136-79-0" ;
dbo:formula "C8H2Cl4O4" ;
dbo:inchi "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" ;
dbo:iupacName "2,3,5,6-Tetrachloroterephthalic acid"@en ;
dbo:pubchem "16493"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" ;
dbp:inchikey "InChIKey=KZCBXHSWMMIEQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001108 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltl" ;
skos:prefLabel "chloorthal"@nl .
csc:CIOAGBVUUVVLOB-NJFSPNSNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5486204 ;
dbo:casNumber "10098-97-2" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1+2" ;
dbo:iupacName "strontium-90"@en ;
dbo:pubchem "5486204"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "InChIKey=CIOAGBVUUVVLOB-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr90" ;
skos:prefLabel "strontium 90"@nl .
csc:DCAYPVUWAIABOU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11006 ;
dbo:casNumber "544-76-3" ;
dbo:formula "C16H34" ;
dbo:inchi "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" ;
dbo:iupacName "HEXADECANE"@en ;
dbo:pubchem "11006"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=DCAYPVUWAIABOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC16a" ;
skos:prefLabel "n-hexadecaan"@nl .
csc:NYOXRYYXRWJDKP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:440 ;
dbo:casNumber "601-57-0" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "440"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C" ;
dbp:inchikey "InChIKey=NYOXRYYXRWJDKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chole4e3on" ;
skos:prefLabel "cholest-4-en-3-one"@nl .
csc:OQRMWUNUKVUHQO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8596 ;
dbo:casNumber "132-75-2" ;
dbo:formula "C12H9N" ;
dbo:inchi "InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2" ;
dbo:iupacName "2-naphthalen-1-ylacetonitrile"@en ;
dbo:pubchem "8596"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC#N" ;
dbp:inchikey "InChIKey=OQRMWUNUKVUHQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Nafactntl" ;
skos:prefLabel "1-naftaleenacetonitril"@nl .
csc:CHEMONTID_0000522
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000522 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an actinide."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZCUFMDLYAMJYST-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000522" ;
skos:prefLabel "Actinide oxides"@en .
csc:NJKDOADNQSYQEV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3731 ;
dbo:casNumber "78649-41-9" ;
dbo:formula "C17H22I3N3O8" ;
dbo:inchi "InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)" ;
dbo:iupacName "N,N'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3731"^^xsd:int ;
dbo:smiles "CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO" ;
dbp:inchikey "InChIKey=NJKDOADNQSYQEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jompl" ;
skos:prefLabel "jomeprol"@nl .
csc:PCFUWBOSXMKGIP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7581 ;
dbo:casNumber "101-82-6" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2" ;
dbo:iupacName "2-(Phenylmethyl)pyridine"@en ;
dbo:pubchem "7581"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=N2" ;
dbp:inchikey "InChIKey=PCFUWBOSXMKGIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2benzprdne" ;
skos:prefLabel "2-benzylpyridine"@nl .
csc:RHSUJRQZTQNSLL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27975 ;
dbo:casNumber "16655-82-6" ;
dbo:formula "C12H15NO4" ;
dbo:inchi "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" ;
dbo:iupacName "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "27975"^^xsd:int ;
dbo:smiles "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" ;
dbp:inchikey "InChIKey=RHSUJRQZTQNSLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxcbfrn" ;
skos:prefLabel "3-hydroxycarbofuran"@nl .
csc:PWKSKIMOESPYIA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:581 ;
dbo:casNumber "616-91-1" ;
dbo:formula "C5H9NO3S" ;
dbo:inchi "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)" ;
dbo:iupacName "2-acetamido-3-sulfanylpropanoic acid"@en ;
dbo:pubchem "581"^^xsd:int ;
dbo:smiles "CC(=O)NC(CS)C(=O)O" ;
dbp:inchikey "InChIKey=PWKSKIMOESPYIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002402 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actctne" ;
skos:prefLabel "acetylcysteine"@nl .
csc:FSGTULQLEVAYRS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:81149 ;
dbo:casNumber "6641-64-1" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2" ;
dbo:iupacName "4,5-Dichloro-2-nitroaniline"@en ;
dbo:pubchem "81149"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=FSGTULQLEVAYRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2NO2An" ;
skos:prefLabel "4,5-dichloor-2-nitroaniline"@nl .
csc:OGJPXUAPXNRGGI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4539 ;
dbo:casNumber "70458-96-7" ;
dbo:formula "C16H18FN3O3" ;
dbo:inchi "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" ;
dbo:iupacName "1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"@en ;
dbo:pubchem "4539"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O" ;
dbp:inchikey "InChIKey=OGJPXUAPXNRGGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfxcne" ;
skos:prefLabel "norfloxacine"@nl .
csc:CHEMONTID_0004640
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004640 ;
skos:definition "Aromatic compounds containing a methylcarbamic acid esterified with a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MYPKGPZHHQEODQ-UHFFFAOYSA-N , csc:DTAPQAJKAFRNJB-UHFFFAOYSA-N , csc:IOPTXXRNXCPJGO-UHFFFAOYSA-N , csc:VOEYXMAFNDNNED-UHFFFAOYSA-N , csc:DIRFUJHNVNOBMY-UHFFFAOYSA-N , csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N , csc:CVQODEWAPZVVBU-UHFFFAOYSA-N , csc:HEZNVIYQEUHLNI-UHFFFAOYSA-N , csc:RJBJMKAMQIOAML-UHFFFAOYSA-N , csc:YNEVBPNZHBAYOA-UHFFFAOYSA-N , csc:OMOLDRXZKFFGJI-UHFFFAOYSA-N , csc:FNCMBMZOZQAWJA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004640" ;
skos:prefLabel "Phenyl methylcarbamates"@en .
csc:CHEMONTID_0001664
skos:narrower csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N , csc:YRMLFORXOOIJDR-UHFFFAOYSA-N , csc:VZRKEAFHFMSHCD-UHFFFAOYSA-N , csc:NZMAJUHVSZBJHL-UHFFFAOYSA-N , csc:KZAUOCCYDRDERY-UITAMQMPSA-N , csc:KIDWGGCIROEJJW-GQCTYLIASA-N , csc:FXHOOIRPVKKKFG-UHFFFAOYSA-N .
csc:CHEMONTID_0003413
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003413 ;
skos:definition "Organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 1-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003413" ;
skos:prefLabel "1-benzothiopyrans"@en .
csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6115 ;
dbo:casNumber "53894-37-4" , "17843-02-6" , "146997-94-6" , "37342-16-8" , "62-53-3" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" ;
dbo:iupacName "Aniline"@en ;
dbo:pubchem "6115"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=PAYRUJLWNCNPSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_62-53-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "An" ;
skos:prefLabel "aniline"@nl ;
vcs:vmmParameterId "849"^^xsd:int .
csc:CHEMONTID_0000437
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000437 ;
skos:definition "Inorganic compounds containing 'other non-metals' and halogen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N , csc:NLXLAEXVIDQMFP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000437" ;
skos:prefLabel "Other non-metal halides"@en .
csc:UXTIAFYTYOEQHV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30113 ;
dbo:casNumber "20325-40-0" , "111984-09-9" ;
dbo:formula "C14H18Cl2N2O2" ;
dbo:inchi "InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H" ;
dbo:iupacName "4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride"@en ;
dbo:pubchem "30113"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])OC)[NH3+].[Cl-].[Cl-]" ;
dbp:inchikey "InChIKey=UXTIAFYTYOEQHV-UHFFFAOYSA-N" ;
skos:altLabel "3,3'-dimethoxybenzidinehydrochloride"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1oxbzdnH" , "33DC1oxbzdnD" ;
skos:prefLabel "3,3'-dimethoxybenzidine dihydrochloride"@nl .
csc:REZZEXDLIUJMMS-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7879 ;
dbo:casNumber "59111-82-9" , "66359-86-2" , "134191-39-2" , "129119-79-5" , "107-64-2" , "12677-13-3" , "14357-21-2" , "76723-98-3" ;
dbo:formula "C38H80ClN" ;
dbo:inchi "InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctadecylazanium chloride"@en ;
dbo:pubchem "7879"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]" ;
dbp:inchikey "InChIKey=REZZEXDLIUJMMS-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DODAC" ;
skos:prefLabel "dimethyldioctadecylammoniumchloride"@nl .
csc:HGCIXCUEYOPUTN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8079 ;
dbo:casNumber "110-83-8" , "33004-06-7" , "7493-04-1" , "15650-80-3" ;
dbo:formula "C6H10" ;
dbo:inchi "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" ;
dbo:iupacName "Cyclohexene"@en ;
dbo:pubchem "8079"^^xsd:int ;
dbo:smiles "C1CCC=CC1" ;
dbp:inchikey "InChIKey=HGCIXCUEYOPUTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6e" ;
skos:prefLabel "cyclohexeen"@nl .
csc:WQRCEBAZAUAUQC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3034351 ;
dbo:casNumber "25059-80-7" ;
dbo:formula "C11H10ClNO3S" ;
dbo:inchi "InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3" ;
dbo:iupacName "ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate"@en ;
dbo:pubchem "3034351"^^xsd:int ;
dbo:smiles "CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O" ;
dbp:inchikey "InChIKey=WQRCEBAZAUAUQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzlnC2y" ;
skos:prefLabel "benazolin-ethyl"@nl .
csc:JCRIDWXIBSEOEG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11312 ;
dbo:casNumber "573-56-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "2,6-Dinitrophenol"@en ;
dbo:pubchem "11312"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=JCRIDWXIBSEOEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2Fol" ;
skos:prefLabel "2,6-dinitrofenol"@nl .
csc:MXHTZQSKTCCMFG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24321 ;
dbo:casNumber "620-40-6" ;
dbo:formula "C21H21N" ;
dbo:inchi "InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2" ;
dbo:iupacName "1-phenyl-N,N-bis(phenylmethyl)methanamine"@en ;
dbo:pubchem "24321"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=MXHTZQSKTCCMFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TbenzAe" ;
skos:prefLabel "tribenzylamine"@nl .
csc:XFWOTCACTPMVSB-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74764357 ;
dbo:casNumber "144550-36-7" ;
dbo:formula "C14H13IN5NaO6S" ;
dbo:inchi "InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22,23,24);/q;+1/p-1" ;
dbo:iupacName "['sodium (Z)-(5-iodo-2-methoxycarbonylphenyl)sulfonylimino-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]methanolate', 'sodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide']"@en ;
dbo:pubchem "74764357"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)N=S(=O)(C2=C(C=CC(=C2)I)C(=O)OC)[O-].[Na+]" ;
dbp:inchikey "InChIKey=XFWOTCACTPMVSB-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IsfrnC1yNa" ;
skos:prefLabel "jodosulfuron-methyl-natrium"@nl .
csc:JMYWPEQXUQGQNF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:87012 ;
dbo:casNumber "17233-71-5" ;
dbo:formula "CH2S6" ;
dbo:inchi "InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2" ;
dbo:iupacName "Hexathiepane"@en ;
dbo:pubchem "87012"^^xsd:int ;
dbo:smiles "C1SSSSSS1" ;
dbp:inchikey "InChIKey=JMYWPEQXUQGQNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000002 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123456Hxtpne" ;
skos:prefLabel "1,2,3,4,5,6-hexathiepane"@nl .
csc:CHEMONTID_0004072
skos:narrower csc:XMHKTINRBAKEDS-UHFFFAOYSA-N , csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N .
csc:CHEMONTID_0001096
skos:narrower csc:HNXNKTMIVROLTK-UHFFFAOYSA-N , csc:AOMUHOFOVNGZAN-UHFFFAOYSA-N .
csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31256 ;
dbo:casNumber "123-42-2" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" ;
dbo:iupacName "4-Hydroxy-4-methylpentan-2-one"@en ;
dbo:pubchem "31256"^^xsd:int ;
dbo:smiles "CC(=O)CC(C)(C)O" ;
dbp:inchikey "InChIKey=SWXVUIWOUIDPGS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002913 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Hox4C1y2C5o" ;
skos:prefLabel "4-hydroxy-4-methyl-2-pentanon"@nl .
csc:CHEMONTID_0003954
skos:narrower csc:HFDOVSPQVPECFP-UHFFFAOYSA-N , csc:HMBBJSKXDBUNNT-UHFFFAOYSA-N , csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N , csc:HQJQYILBCQPYBI-UHFFFAOYSA-N , csc:UXOOFXUEODCAIP-UHFFFAOYSA-N , csc:PALAXWMMBSLIDB-UHFFFAOYSA-N , csc:OELBLPCWLAWABI-UHFFFAOYSA-N , csc:IMEYSCIEAFLSQJ-UHFFFAOYSA-N , csc:AQPHBYQUCKHJLT-UHFFFAOYSA-N , csc:BVGDXTYHVRFEQZ-UHFFFAOYSA-N , csc:PBFOWFPZALCTIY-UHFFFAOYSA-N .
csc:YXEOEPYIBGTLML-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17077 ;
dbo:casNumber "2432-12-4" ;
dbo:formula "C7H6Cl2O" ;
dbo:inchi "InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3" ;
dbo:iupacName "2,6-Dichloro-4-methylphenol"@en ;
dbo:pubchem "17077"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)Cl)O)Cl" ;
dbp:inchikey "InChIKey=YXEOEPYIBGTLML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl4C1yFol" ;
skos:prefLabel "2,6-dichloor-4-methylfenol"@nl .
csc:XLNZEKHULJKQBA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25670 ;
dbo:casNumber "13071-79-9" ;
dbo:formula "C9H21O2PS3" ;
dbo:inchi "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "25670"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC(C)(C)C" ;
dbp:inchikey "InChIKey=XLNZEKHULJKQBA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_13071-79-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfs" ;
skos:prefLabel "terbufos"@nl ;
vcs:vmmParameterId "806"^^xsd:int .
csc:VYNGFCUGSYEOOZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19758 ;
dbo:casNumber "3878-45-3" ;
dbo:formula "C18H15PS" ;
dbo:inchi "InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "tri(phenyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19758"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=VYNGFCUGSYEOOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFyffnS" ;
skos:prefLabel "trifenylfosfinesulfide"@nl .
csc:CHEMONTID_0000501
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000501 ;
skos:definition "Organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QWDQYHPOSSHSAW-UHFFFAOYSA-N , csc:RRAMGCGOFNQTLD-UHFFFAOYSA-N , csc:NIMLQBUJDJZYEJ-UHFFFAOYSA-N , csc:HAMGRBXTJNITHG-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000501" ;
skos:prefLabel "Isocyanates"@en .
csc:NUMQCACRALPSHD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12512 ;
dbo:casNumber "637-92-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" ;
dbo:iupacName "2-Ethoxy-2-methylpropane"@en ;
dbo:pubchem "12512"^^xsd:int ;
dbo:smiles "CCOC(C)(C)C" ;
dbp:inchikey "InChIKey=NUMQCACRALPSHD-UHFFFAOYSA-N" ;
skos:altLabel "ethyl-tert-butylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2ox2C1yC3a" ;
skos:prefLabel "2-ethoxy-2-methylpropaan"@nl .
csc:RVULBHWZFCBODE-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:44072 ;
dbo:casNumber "94128-03-7" , "63748-59-4" , "62476-59-9" ;
dbo:formula "C14H6ClF3NNaO5" ;
dbo:inchi "InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1" ;
dbo:iupacName "sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "44072"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=RVULBHWZFCBODE-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acFfNazt" ;
skos:prefLabel "acifluorfen-natriumzout"@nl .
csc:XLJMAIOERFSOGZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:540 ;
dbo:casNumber "420-05-3" ;
dbo:formula "CHNO" ;
dbo:inchi "InChI=1S/CHNO/c2-1-3/h3H" ;
dbo:iupacName "Cyanic acid"@en ;
dbo:pubchem "540"^^xsd:int ;
dbo:smiles "C(#N)O" ;
dbp:inchikey "InChIKey=XLJMAIOERFSOGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Czr" ;
skos:prefLabel "cyaanzuur"@nl .
csc:ZMHZSHHZIKJFIR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5484215 ;
dbo:casNumber "15231-57-9" ;
dbo:formula "C8H17Sn" ;
dbo:inchi "InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;" ;
dbo:iupacName "Octyl tin"@en ;
dbo:pubchem "5484215"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn]" ;
dbp:inchikey "InChIKey=ZMHZSHHZIKJFIR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001523 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monooctyltin"@nl .
csc:GWLKCPXYBLCEKC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34702 ;
dbo:casNumber "32768-54-0" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,2-dichloro-3-methylbenzene"@en ;
dbo:pubchem "34702"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=GWLKCPXYBLCEKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClTol" ;
skos:prefLabel "2,3-dichloortolueen"@nl .
csc:HCYGJXYCUXDCHD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:294709 ;
dbo:casNumber "55282-17-2" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(5-2)6-3/h26H,4-25H2,1-3H3" ;
dbo:iupacName "3-Ethyltetracosane"@en ;
dbo:pubchem "294709"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCC(CC)CC" ;
dbp:inchikey "InChIKey=HCYGJXYCUXDCHD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yC24a" ;
skos:prefLabel "3-ethyltetracosaan"@nl .
csc:RIWRBSMFKVOJMN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7531 ;
dbo:casNumber "100-86-7" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3" ;
dbo:iupacName "2-Methyl-1-phenylpropan-2-ol"@en ;
dbo:pubchem "7531"^^xsd:int ;
dbo:smiles "CC(C)(CC1=CC=CC=C1)O" ;
dbp:inchikey "InChIKey=RIWRBSMFKVOJMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1Fy2C3ol" ;
skos:prefLabel "2-methyl-1-fenyl-2-propanol"@nl .
csc:DNWJJJOJBSVOEL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17183 ;
dbo:casNumber "2471-83-2" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-9H,1H2" ;
dbo:iupacName "1-ETHENYL-1H-INDENE"@en ;
dbo:pubchem "17183"^^xsd:int ;
dbo:smiles "C=CC1C=CC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=DNWJJJOJBSVOEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yididn" ;
skos:prefLabel "1-ethylideenindeen"@nl .
csc:FZSVSABTBYGOQH-XFFZJAGNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5364932 ;
dbo:casNumber "39196-18-4" ;
dbo:formula "C9H18N2O2S" ;
dbo:inchi "InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-" ;
dbo:iupacName "[(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5364932"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CSC" ;
dbp:inchikey "InChIKey=FZSVSABTBYGOQH-XFFZJAGNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnx" ;
skos:prefLabel "thiofanox"@nl .
csc:JBCUKQQIWSWEOK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77956 ;
dbo:casNumber "4273-98-7" ;
dbo:formula "C12H11NO2S" ;
dbo:inchi "InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2" ;
dbo:iupacName "2-phenylsulfonylaniline"@en ;
dbo:pubchem "77956"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N" ;
dbp:inchikey "InChIKey=JBCUKQQIWSWEOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FysfnAn" ;
skos:prefLabel "2-(fenylsulfonyl)aniline"@nl .
csc:SPANOECCGNXGNR-UITAMQMPSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5284376 ;
dbo:casNumber "17708-57-5" , "2303-16-4" ;
dbo:formula "C10H17Cl2NOS" ;
dbo:inchi "InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-" ;
dbo:iupacName "['S-[(Z)-2,3-dichloroprop-2-enyl] (di(propan-2-yl)amino)methanethioate', 'S-(2,3-dichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate']"@en ;
dbo:pubchem "5284376"^^xsd:int ;
dbo:smiles "CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl" ;
dbp:inchikey "InChIKey=SPANOECCGNXGNR-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dalt" ;
skos:prefLabel "diallaat"@nl .
csc:BZFBDUQOBQHBSZ-BJRTZXQSSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14729 ;
dbo:casNumber "1249-84-9" ;
dbo:formula "C25H46Cl2N2O" ;
dbo:inchi "InChI=1S/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20?,21-,22-,23-,24?,25?;;/m0../s1" ;
dbo:iupacName "(3S,9S,14S,17S)-17-(3-dimethylaminopropyl-methylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride"@en ;
dbo:pubchem "14729"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2N(C)CCCN(C)C)CC=C4C3(CCC(C4)O)C.Cl.Cl" ;
dbp:inchikey "InChIKey=BZFBDUQOBQHBSZ-BJRTZXQSSA-N" ;
skos:broader csc:CHEMONTID_0003053 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DazclsrDHCl" ;
skos:prefLabel "diazacholesterol-dihydrochloride"@nl .
csc:KDLRVYVGXIQJDK-NOWPCOIGSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29029 ;
dbo:casNumber "24620-78-8" , "16669-21-9" , "18323-44-9" , "13441-63-9" , "24696-19-3" ;
dbo:formula "C18H33ClN2O5S" ;
dbo:inchi "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1" ;
dbo:iupacName "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide"@en ;
dbo:pubchem "29029"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl" ;
dbp:inchikey "InChIKey=KDLRVYVGXIQJDK-NOWPCOIGSA-N" ;
skos:broader csc:CHEMONTID_0004322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clindmcne" ;
skos:prefLabel "clindamycine"@nl .
csc:MHKBMNACOMRIAW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6191 ;
dbo:casNumber "66-56-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H" ;
dbo:iupacName "2,3-DINITROPHENOL"@en ;
dbo:pubchem "6191"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=MHKBMNACOMRIAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DNO2Fol" ;
skos:prefLabel "2,3-dinitrofenol"@nl .
csc:GWYFCOCPABKNJV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10430 ;
dbo:casNumber "503-74-2" , "92634-50-9" , "35915-22-1" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" ;
dbo:iupacName "3-Methylbutanoic acid"@en ;
dbo:pubchem "10430"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)O" ;
dbp:inchikey "InChIKey=GWYFCOCPABKNJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ivlrazr" ;
skos:prefLabel "iso-valeriaanzuur"@nl .
csc:CHEMONTID_0000474
skos:narrower csc:XZWYZXLIPXDOLR-UHFFFAOYSA-N .
csc:CHEMONTID_0002223
skos:narrower csc:FPYJFEHAWHCUMM-UHFFFAOYSA-N .
csc:GJRQTCIYDGXPES-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8038 ;
dbo:casNumber "110-19-0" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl acetate"@en ;
dbo:pubchem "8038"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C" ;
dbp:inchikey "InChIKey=GJRQTCIYDGXPES-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yactt" ;
skos:prefLabel "iso-butylacetaat"@nl .
csc:QUKOJKFJIHSBKV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92723 ;
dbo:casNumber "7154-79-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3" ;
dbo:iupacName "2,2,3,3-Tetramethylpentane"@en ;
dbo:pubchem "92723"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(C)(C)C" ;
dbp:inchikey "InChIKey=QUKOJKFJIHSBKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2233T4C1yC5a" ;
skos:prefLabel "2,2,3,3-tetramethylpentaan"@nl .
csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62883 ;
dbo:casNumber "26787-78-0" , "61336-70-7" ;
dbo:formula "C16H25N3O8S" ;
dbo:inchi "InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate"@en ;
dbo:pubchem "62883"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O" ;
dbp:inchikey "InChIKey=MQXQVCLAUDMCEF-CWLIKTDRSA-N" ;
skos:broader csc:CHEMONTID_0000174 ;
skos:exactMatch wise:CAS_26787-78-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amxclne" ;
skos:prefLabel "amoxicilline"@nl ;
vcs:vmmParameterId "1855"^^xsd:int .
csc:PFURGBBHAOXLIO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13601 ;
dbo:casNumber "1792-81-0" , "54383-22-1" , "931-17-9" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2" ;
dbo:iupacName "Cyclohexane-1,2-diol"@en ;
dbo:pubchem "13601"^^xsd:int ;
dbo:smiles "C1CCC(C(C1)O)O" ;
dbp:inchikey "InChIKey=PFURGBBHAOXLIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12ccC6aDol" ;
skos:prefLabel "1,2-cyclohexaandiol"@nl .
csc:TXCDCPKCNAJMEE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:568 ;
dbo:casNumber "132-64-9" , "214827-48-2" ;
dbo:formula "C12H8O" ;
dbo:inchi "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" ;
dbo:iupacName "dibenzofuran"@en ;
dbo:pubchem "568"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3O2" ;
dbp:inchikey "InChIKey=TXCDCPKCNAJMEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000015 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbzfrn" ;
skos:prefLabel "dibenzofuran"@nl .
csc:CHEMONTID_0000389
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000389 ;
skos:definition "Organic compounds containing a ketone group and a carboxylic acid group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000389" ;
skos:prefLabel "Keto acids and derivatives"@en .
csc:HAORKNGNJCEJBX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86367 ;
dbo:casNumber "121552-61-2" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" ;
dbo:iupacName "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine"@en ;
dbo:pubchem "86367"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3" ;
dbp:inchikey "InChIKey=HAORKNGNJCEJBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_121552-61-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypdnl" ;
skos:prefLabel "cyprodinil"@nl ;
vcs:vmmParameterId "1017"^^xsd:int .
csc:VYPSYNLAJGMNEJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24261 ;
dbo:casNumber "15468-32-3" , "70594-95-5" , "17679-64-0" , "105269-70-3" , "14464-46-1" , "1317-94-8" , "12425-26-2" , "122304-49-8" , "1317-79-9" , "15723-40-7" , "14808-60-7" , "112945-52-5" , "67256-35-3" , "92283-58-4" , "99439-28-8" , "98253-25-9" , "1317-48-2" , "7631-86-9" , "122304-48-7" , "87347-84-0" , "50926-93-7" , "12414-70-9" ;
dbo:formula "O2Si" ;
dbo:inchi "InChI=1S/O2Si/c1-3-2" ;
dbo:iupacName "Dioxosilane"@en ;
dbo:pubchem "24261"^^xsd:int ;
dbo:smiles "O=[Si]=O" ;
dbp:inchikey "InChIKey=VYPSYNLAJGMNEJ-UHFFFAOYSA-N" ;
skos:altLabel "silicaat, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SiO2" ;
skos:prefLabel "siliciumdioxide"@nl .
csc:CHEMONTID_0004513
skos:narrower csc:XAIPTRIXGHTTNT-UHFFFAOYSA-N , csc:UISUNVFOGSJSKD-UHFFFAOYSA-N , csc:RYLHNOVXKPXDIP-UHFFFAOYSA-N , csc:RGNPBRKPHBKNKX-UHFFFAOYSA-N , csc:QQQYTWIFVNKMRW-UHFFFAOYSA-N .
csc:BAZVSMNPJJMILC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41368 ;
dbo:casNumber "55219-65-3" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "41368"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=BAZVSMNPJJMILC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tadmnl" ;
skos:prefLabel "triadimenol"@nl .
csc:CBFCDTFDPHXCNY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8222 ;
dbo:casNumber "112-95-8" ;
dbo:formula "C20H42" ;
dbo:inchi "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" ;
dbo:iupacName "Icosane"@en ;
dbo:pubchem "8222"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=CBFCDTFDPHXCNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20a" ;
skos:prefLabel "eicosaan"@nl .
csc:PSPNTGGVAYLSJO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20511 ;
dbo:casNumber "4443-55-4" ;
dbo:formula "C26H52" ;
dbo:inchi "InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3" ;
dbo:iupacName "icosylcyclohexane"@en ;
dbo:pubchem "20511"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC1CCCCC1" ;
dbp:inchikey "InChIKey=PSPNTGGVAYLSJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20yccC6a" ;
skos:prefLabel "eicosylcyclohexaan"@nl .
csc:SSBRSHIQIANGKS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159909 ;
dbo:casNumber "21351-39-3" ;
dbo:formula "CH6N2O5S" ;
dbo:inchi "InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)" ;
dbo:iupacName "sulfuric acid; urea"@en ;
dbo:pubchem "159909"^^xsd:int ;
dbo:smiles "C(=O)(N)N.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=SSBRSHIQIANGKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCDS" ;
skos:prefLabel "monocarbamidedihydrogensulfaat"@nl .
csc:PFEFOYRSMXVNEL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12902 ;
dbo:casNumber "50356-20-2" , "19879-87-9" , "53320-88-0" , "1333-60-4" , "732-26-3" , "11100-56-4" ;
dbo:formula "C18H30O" ;
dbo:inchi "InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3" ;
dbo:iupacName "2,4,6-tritert-butylphenol"@en ;
dbo:pubchem "12902"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=PFEFOYRSMXVNEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TttC4yFol" ;
skos:prefLabel "2,4,6-tri-tert-butylfenol"@nl .
csc:CHEMONTID_0002679
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002679 ;
skos:definition "Compounds containing an ergoline moiety, which is structurally characterized by he presence of a 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg] quinoline."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002679" ;
skos:prefLabel "Ergoline and derivatives"@en .
csc:CHEMONTID_0000453
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000453 ;
skos:definition "Inorganic compounds belonging to either of the other non-metal Hydrides, other non-metal nitrides, other non-metal oxides, or the other non-metal sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000453" ;
skos:prefLabel "Other non-metal organides"@en .
csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13652 ;
dbo:casNumber "939-27-5" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3" ;
dbo:iupacName "2-Ethylnaphthalene"@en ;
dbo:pubchem "13652"^^xsd:int ;
dbo:smiles "CCC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "InChIKey=RJTJVVYSTUQWNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yNaf" ;
skos:prefLabel "2-ethylnaftaleen"@nl .
csc:FINOAUDUYKVGDS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62334 ;
dbo:casNumber "88-41-5" ;
dbo:formula "C12H22O2" ;
dbo:inchi "InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3" ;
dbo:iupacName "(2-tert-butylcyclohexyl) acetate"@en ;
dbo:pubchem "62334"^^xsd:int ;
dbo:smiles "CC(=O)OC1CCCCC1C(C)(C)C" ;
dbp:inchikey "InChIKey=FINOAUDUYKVGDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verdx" ;
skos:prefLabel "verdox"@nl .
csc:CHEMONTID_0002202
skos:narrower csc:DQMZLTXERSFNPB-UHFFFAOYSA-N .
csc:VJJPUSNTGOMMGY-MRVIYFEKSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36462 ;
dbo:casNumber "136598-18-0" , "201594-04-9" , "51854-34-3" , "33419-42-0" , "76576-58-4" , "35317-32-9" , "121471-01-0" ;
dbo:formula "C29H32O13" ;
dbo:inchi "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1" ;
dbo:iupacName "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"@en ;
dbo:pubchem "36462"^^xsd:int ;
dbo:smiles "CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O" ;
dbp:inchikey "InChIKey=VJJPUSNTGOMMGY-MRVIYFEKSA-N" ;
skos:broader csc:CHEMONTID_0000047 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etpsde" ;
skos:prefLabel "etoposide"@nl .
csc:CHEMONTID_0000368
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000368 ;
skos:definition "Compounds containing a dioxane ring, which is a six-membered saturated ring of two oxygen atoms and four carbon atoms. The dioxanes are divided in 1,2-dioxanes, 1,3-dioxanes, and 1,4-dioxanes."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000368" ;
skos:prefLabel "Dioxanes"@en .
csc:CIEXPHRYOLIQQD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:42504 ;
dbo:casNumber "57646-30-7" , "66063-54-5" ;
dbo:formula "C17H19NO4" ;
dbo:inchi "InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propanoate"@en ;
dbo:pubchem "42504"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2" ;
dbp:inchikey "InChIKey=CIEXPHRYOLIQQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004756 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furlxl" ;
skos:prefLabel "furalaxyl"@nl .
csc:CHEMONTID_0003970
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003970 ;
skos:definition "Organic compounds containing a pyridine ring substituted at one or more positions by a halogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003970" ;
skos:prefLabel "Halopyridines"@en .
csc:NVKAWKQGWWIWPM-ABEVXSGRSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10635 ;
dbo:casNumber "521-18-6" , "12040-51-6" , "28801-96-9" ;
dbo:formula "C19H30O2" ;
dbo:inchi "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1" ;
dbo:iupacName "(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "10635"^^xsd:int ;
dbo:smiles "CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C" ;
dbp:inchikey "InChIKey=NVKAWKQGWWIWPM-ABEVXSGRSA-N" ;
skos:broader csc:CHEMONTID_0001467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHT" ;
skos:prefLabel "dihydrotestosterone"@nl .
csc:GWXLDORMOJMVQZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23974 ;
dbo:casNumber "7440-45-1" , "196959-41-8" , "110123-49-4" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce" ;
dbo:iupacName "CERIUM"@en ;
dbo:pubchem "23974"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "InChIKey=GWXLDORMOJMVQZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_B_002 ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce" ;
skos:prefLabel "cerium"@nl .
csc:CHEMONTID_0001516
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001516 ;
skos:definition "Compounds containing a chemical bond between a carbon atom and a chlorine atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KNKRKFALVUDBJE-UHFFFAOYSA-N , csc:VHHHONWQHHHLTI-UHFFFAOYSA-N , csc:HFFLGKNGCAIQMO-UHFFFAOYSA-N , csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N , csc:VFWCMGCRMGJXDK-UHFFFAOYSA-N , csc:GRSQYISVQKPZCW-UHFFFAOYSA-N , csc:OHXAOPZTJOUYKM-UHFFFAOYSA-N , csc:YEHHNHSVUHPNNT-UHFFFAOYSA-N , csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N , csc:BNIXVQGCZULYKV-UHFFFAOYSA-N , csc:MFESCIUQSIBMSM-UHFFFAOYSA-N , csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N , csc:WBEJYOJJBDISQU-UHFFFAOYSA-N , csc:SQCZQTSHSZLZIQ-UHFFFAOYSA-N , csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:SCYULBFZEHDVBN-UHFFFAOYSA-N , csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N , csc:FQDIANVAWVHZIR-OWOJBTEDSA-N , csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N , csc:CLWAXFZCVYJLLM-UHFFFAOYSA-N , csc:KJDRSWPQXHESDQ-UHFFFAOYSA-N , csc:HRYZWHHZPQKTII-UHFFFAOYSA-N , csc:WIHMGGWNMISDNJ-UHFFFAOYSA-N , csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N , csc:DAIIXVPKQATIMF-UHFFFAOYSA-N , csc:BULHJTXRZFEUDQ-UHFFFAOYSA-N , csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N , csc:YAYNEUUHHLGGAH-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:DNYWXJPIRSNXIP-UHFFFAOYSA-N , csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N , csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001516" ;
skos:prefLabel "Organochlorides"@en .
csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62478 ;
dbo:casNumber "3064-70-8" ;
dbo:formula "C2Cl6O2S" ;
dbo:inchi "InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8" ;
dbo:iupacName "trichloro-(trichloromethylsulfonyl)methane"@en ;
dbo:pubchem "62478"^^xsd:int ;
dbo:smiles "C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=YBNLWIZAWPBUKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisTClC1ysfn" ;
skos:prefLabel "bis(trichloormethyl)sulfon"@nl .
csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2728 ;
dbo:casNumber "11097-02-2" , "101-21-3" ;
dbo:formula "C10H12ClNO2" ;
dbo:inchi "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)" ;
dbo:iupacName "propan-2-yl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "2728"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NC1=CC(=CC=C1)Cl" ;
dbp:inchikey "InChIKey=CWJSHJJYOPWUGX-UHFFFAOYSA-N" ;
skos:altLabel "chlorpropham"@nl ;
skos:broader csc:CHEMONTID_0004714 ;
skos:exactMatch wise:CAS_101-21-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpfm" ;
skos:prefLabel "chloorprofam"@nl ;
vcs:vmmParameterId "483"^^xsd:int .
csc:XWSLYQXUTWUIKM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9038 ;
dbo:casNumber "152-18-1" ;
dbo:formula "C3H9O3PS" ;
dbo:inchi "InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3" ;
dbo:iupacName "trimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "9038"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=XWSLYQXUTWUIKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1ytoPO4" ;
skos:prefLabel "trimethylthiofosfaat"@nl .
csc:GTRSAMFYSUBAGN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22522 ;
dbo:casNumber "6145-73-9" , "101551-02-4" ;
dbo:formula "C9H18Cl3O4P" ;
dbo:inchi "InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "Tris(2-chloropropyl) phosphate"@en ;
dbo:pubchem "22522"^^xsd:int ;
dbo:smiles "CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl" ;
dbp:inchikey "InChIKey=GTRSAMFYSUBAGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3ol2ClPO4" ;
skos:prefLabel "1-propanol-2-chloorfosfaat"@nl .
csc:IDGBOLGHJQQORA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62318 ;
dbo:casNumber "136013-79-1" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(7,8)1(6)3(5,9)10/h1H" ;
dbo:iupacName "1,3-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62318"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(C(F)(F)Cl)F" ;
dbp:inchikey "InChIKey=IDGBOLGHJQQORA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ea" ;
skos:prefLabel "1,3-dichloor-1,1,2,3,3-pentafluorpropaan"@nl .
csc:FRIJWEQBTIZQMD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9150 ;
dbo:casNumber "205-12-9" , "61089-87-0" , "30777-20-9" ;
dbo:formula "C17H12" ;
dbo:inchi "InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2" ;
dbo:iupacName "7H-Benzo[c]fluorene"@en ;
dbo:pubchem "9150"^^xsd:int ;
dbo:smiles "C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2" ;
dbp:inchikey "InChIKey=FRIJWEQBTIZQMD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BcFle" ;
skos:prefLabel "benzo(c)fluoreen"@nl .
csc:AFZZYIJIWUTJFO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8864 ;
dbo:casNumber "141-93-5" , "68584-01-0" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,3-Diethylbenzene"@en ;
dbo:pubchem "8864"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC=C1)CC" ;
dbp:inchikey "InChIKey=AFZZYIJIWUTJFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC2yBen" ;
skos:prefLabel "1,3-diethylbenzeen"@nl .
csc:CHEMONTID_0000432
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000432 ;
skos:definition "Inorganic non-metallic compounds in which the largest atom is a nobel gas."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PNDPGZBMCMUPRI-HVTJNCQCSA-N , csc:PXGOKWXKJXAPGV-UHFFFAOYSA-N , csc:RYXHOMYVWAEKHL-UHFFFAOYSA-N , csc:KZBUYRJDOAKODT-UHFFFAOYSA-N , csc:PNDPGZBMCMUPRI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000432" ;
skos:prefLabel "Homogeneous halogens"@en .
csc:YXTRCOAFNXQTKL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11839 ;
dbo:casNumber "607-99-8" ;
dbo:formula "C7H5Br3O" ;
dbo:inchi "InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3" ;
dbo:iupacName "1,3,5-tribromo-2-methoxybenzene"@en ;
dbo:pubchem "11839"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1Br)Br)Br" ;
dbp:inchikey "InChIKey=YXTRCOAFNXQTKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TBransl" ;
skos:prefLabel "2,4,6-tribroomanisol"@nl .
csc:VLYWMPOKSSWJAL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5330 ;
dbo:casNumber "80-35-3" ;
dbo:formula "C11H12N4O3S" ;
dbo:inchi "InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" ;
dbo:iupacName "4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "5330"^^xsd:int ;
dbo:smiles "COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=VLYWMPOKSSWJAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfamethoxypyridazine"@nl .
csc:SPOWAUDUGZVURQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91671 ;
dbo:casNumber "59229-75-3" ;
dbo:formula "C7H9N3O2" ;
dbo:inchi "InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3" ;
dbo:iupacName "2-methyl-5-nitrobenzene-1,3-diamine"@en ;
dbo:pubchem "91671"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1N)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=SPOWAUDUGZVURQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DAo4NO2Tol" ;
skos:prefLabel "2,6-diamino-4-nitrotolueen"@nl .
csc:YCIMNLLNPGFGHC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:289 ;
dbo:casNumber "16474-90-1" , "120-80-9" , "37349-32-9" , "12385-08-9" , "16474-89-8" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" ;
dbo:iupacName "benzene-1,2-diol"@en ;
dbo:pubchem "289"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)O)O" ;
dbp:inchikey "InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DHOxBen" ;
skos:prefLabel "1,2-dihydroxybenzeen"@nl .
csc:FXHGMKSSBGDXIY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8130 ;
dbo:casNumber "111-71-7" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3" ;
dbo:iupacName "Heptanal"@en ;
dbo:pubchem "8130"^^xsd:int ;
dbo:smiles "CCCCCCC=O" ;
dbp:inchikey "InChIKey=FXHGMKSSBGDXIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C7al" ;
skos:prefLabel "1-heptanal"@nl .
csc:CRHGSCXKJPJNAB-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60267 ;
dbo:casNumber "108731-70-0" , "72178-02-0" ;
dbo:formula "C15H9ClF3N2NaO6S" ;
dbo:inchi "InChI=1S/C15H10ClF3N2O6S.Na/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19;/h2-7H,1H3,(H,20,22);/q;+1/p-1" ;
dbo:iupacName "sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate"@en ;
dbo:pubchem "60267"^^xsd:int ;
dbo:smiles "CS(=O)(=O)N=C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])[O-].[Na+]" ;
dbp:inchikey "InChIKey=CRHGSCXKJPJNAB-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fomsfn" ;
skos:prefLabel "fomesafen"@nl .
csc:CHEMONTID_0001091
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001091 ;
skos:definition "Compounds containing a benzene ring which bears a methane group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TZOVOULUMXXLOJ-UHFFFAOYSA-N , csc:JRLPEMVDPFPYPJ-UHFFFAOYSA-N , csc:ZLCSFXXPPANWQY-UHFFFAOYSA-N , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:HYFLWBNQFMXCPA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001091" ;
skos:prefLabel "Toluenes"@en .
csc:HCDGVLDPFQMKDK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8302 ;
dbo:casNumber "116-15-4" ;
dbo:formula "C3F6" ;
dbo:inchi "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" ;
dbo:iupacName "1,1,2,3,3,3-hexafluoroprop-1-ene"@en ;
dbo:pubchem "8302"^^xsd:int ;
dbo:smiles "C(=C(F)F)(C(F)(F)F)F" ;
dbp:inchikey "InChIKey=HCDGVLDPFQMKDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HFC3ye" ;
skos:prefLabel "hexafluorpropyleen"@nl .
csc:DMBHHRLKUKUOEG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11487 ;
dbo:casNumber "86352-05-8" , "122-39-4" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" ;
dbo:iupacName "N-Phenylaniline"@en ;
dbo:pubchem "11487"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DMBHHRLKUKUOEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyAe" ;
skos:prefLabel "difenylamine"@nl .
csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II Art. 5.4.3.1.4"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6278 ;
dbo:casNumber "74552-83-3" , "71-55-6" ;
dbo:formula "C2H3Cl3" ;
dbo:inchi "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1,1,1-Trichloroethane"@en ;
dbo:pubchem "6278"^^xsd:int ;
dbo:smiles "CC(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=UOCLXMDMGBRAIB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_71-55-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "111TClC2a" ;
skos:prefLabel "1,1,1-trichloorethaan"@nl ;
vcs:vmmParameterId "891"^^xsd:int , "308"^^xsd:int .
csc:VHHHONWQHHHLTI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6214 ;
dbo:casNumber "67-72-1" ;
dbo:formula "C2Cl6" ;
dbo:inchi "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8" ;
dbo:iupacName "1,1,1,2,2,2-Hexachloroethane"@en ;
dbo:pubchem "6214"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=VHHHONWQHHHLTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_67-72-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClC2a" ;
skos:prefLabel "hexachloorethaan"@nl ;
vcs:vmmParameterId "381"^^xsd:int .
csc:WBEJYOJJBDISQU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7280 ;
dbo:casNumber "105567-86-0" , "96-12-8" , "67708-83-2" ;
dbo:formula "C3H5Br2Cl" ;
dbo:inchi "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2" ;
dbo:iupacName "1,2-Dibromo-3-chloropropane"@en ;
dbo:pubchem "7280"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)Cl" ;
dbp:inchikey "InChIKey=WBEJYOJJBDISQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_96-12-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBr3ClC3a" ;
skos:prefLabel "1,2-dibroom-3-chloorpropaan"@nl ;
vcs:vmmParameterId "374"^^xsd:int .
csc:CHEMONTID_0000490
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000490 ;
skos:definition "Organic compounds containing a sulfonyl group with the structure R-S(=O)2-R', where R' is an urea."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000490" ;
skos:prefLabel "Sulfonylureas"@en .
csc:QXKPLNCZSFACPU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7138 ;
dbo:casNumber "93-37-8" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3" ;
dbo:iupacName "2,7-Dimethylquinoline"@en ;
dbo:pubchem "7138"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C=CC(=N2)C" ;
dbp:inchikey "InChIKey=QXKPLNCZSFACPU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "27DC1yqnlne" ;
skos:prefLabel "2,7-dimethylquinoline"@nl .
csc:PZIRJMYRYORVIT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28213 ;
dbo:casNumber "17040-19-6" ;
dbo:formula "C6H15O5PS2" ;
dbo:inchi "InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane"@en ;
dbo:pubchem "28213"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)CCSP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=PZIRJMYRYORVIT-UHFFFAOYSA-N" ;
skos:altLabel "demeton-S-methylsulfon"@nl ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtSC1ysfn" ;
skos:prefLabel "demeton-s-methylsulfon"@nl .
csc:WFNLHDJJZSJARK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6897 ;
dbo:casNumber "87-63-8" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-6-methylaniline"@en ;
dbo:pubchem "6897"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)N" ;
dbp:inchikey "InChIKey=WFNLHDJJZSJARK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6C1yAn" ;
skos:prefLabel "2-chloor-6-methylaniline"@nl .
csc:CHEMONTID_0003864
skos:narrower csc:QUWSDLYBOVGOCW-UHFFFAOYSA-N , csc:ICNFHJVPAJKPHW-UHFFFAOYSA-N .
csc:JCXGWMGPZLAOME-BKFZFHPZSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328549 ;
dbo:casNumber "14733-03-0" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+5" ;
dbo:iupacName "bismuth-214"@en ;
dbo:pubchem "6328549"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi214" ;
skos:prefLabel "bismuth 214"@nl .
csc:CHEMONTID_0000411
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000411 ;
skos:definition "Compounds containing the oxime functional group, with the general structure R1(R2)C=NOH."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000411" ;
skos:prefLabel "Oximes"@en .
csc:NJPPVKZQTLUDBO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93541 ;
dbo:casNumber "116714-46-6" ;
dbo:formula "C17H9ClF8N2O4" ;
dbo:inchi "InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)" ;
dbo:iupacName "N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "93541"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F" ;
dbp:inchikey "InChIKey=NJPPVKZQTLUDBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "novlrn" ;
skos:prefLabel "novaluron"@nl .
csc:FHNFHKCVQCLJFQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23991 ;
dbo:casNumber "7440-63-3" ;
dbo:formula "Xe" ;
dbo:inchi "InChI=1S/Xe" ;
dbo:iupacName "XENON"@en ;
dbo:pubchem "23991"^^xsd:int ;
dbo:smiles "[Xe]" ;
dbp:inchikey "InChIKey=FHNFHKCVQCLJFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Xe" ;
skos:prefLabel "xenon"@nl .
csc:MQJKPEGWNLWLTK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2955 ;
dbo:casNumber "80-08-0" ;
dbo:formula "C12H12N2O2S" ;
dbo:inchi "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)sulfonylaniline"@en ;
dbo:pubchem "2955"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=MQJKPEGWNLWLTK-UHFFFAOYSA-N" ;
skos:altLabel "dapsone"@nl ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dapsn" ;
skos:prefLabel "dapson"@nl .
csc:VNWKTOKETHGBQD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl , "VLAR III (D3, art 3.12.5.1.7) 'CH4-gehalte'"@nl ;
rdfs:seeAlso compound:297 ;
dbo:casNumber "74-82-8" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4" ;
dbo:iupacName "methane"@en ;
dbo:pubchem "297"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N" ;
skos:altLabel "methaan"@nl , "methaan (ch4)"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1a" ;
skos:prefLabel "methaan (CH4)"@nl .
csc:NDJKXXJCMXVBJW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12398 ;
dbo:casNumber "629-78-7" ;
dbo:formula "C17H36" ;
dbo:inchi "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" ;
dbo:iupacName "Heptadecane"@en ;
dbo:pubchem "12398"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=NDJKXXJCMXVBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C17a" ;
skos:prefLabel "heptadecaan"@nl .
csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27582 ;
dbo:casNumber "15950-66-0" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H" ;
dbo:iupacName "2,3,4-TRICHLOROPHENOL"@en ;
dbo:pubchem "27582"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1O)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HSQFVBWFPBKHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_15950-66-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TClFol" ;
skos:prefLabel "2,3,4-trichloorfenol"@nl ;
vcs:vmmParameterId "337"^^xsd:int .
csc:FXNDIJDIPNCZQJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7868 ;
dbo:casNumber "25167-70-8" , "12002-23-2" , "107-39-1" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" ;
dbo:iupacName "2,4,4-Trimethylpent-1-ene"@en ;
dbo:pubchem "7868"^^xsd:int ;
dbo:smiles "CC(=C)CC(C)(C)C" ;
dbp:inchikey "InChIKey=FXNDIJDIPNCZQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1yC5e" ;
skos:prefLabel "2,4,4-trimethylpenteen"@nl .
csc:CHEMONTID_0001553
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001553 ;
skos:definition "Terpene molecules containing six isoprene units."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N , csc:WQLVFSAGQJTQCK-VKROHFNGSA-N ;
skos:notation "CHEMONTID:0001553" ;
skos:prefLabel "Triterpenoids"@en .
csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:335 ;
dbo:casNumber "95-48-7" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" ;
dbo:iupacName "2-Methylphenol"@en ;
dbo:pubchem "335"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=QWVGKYWNOKOFNN-UHFFFAOYSA-N" ;
skos:altLabel "2-methylfenol (o-cresol)"@nl , "2-methylfenol"@nl ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_95-48-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ocresl" ;
skos:prefLabel "o-cresol"@nl ;
vcs:vmmParameterId "658"^^xsd:int .
csc:CHEMONTID_0000326
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000326 ;
skos:definition "Organic compounds containing two pyridine rings linked to each other."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:INFDPOAKFNIJBF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000326" ;
skos:prefLabel "Bipyridines and oligopyridines"@en .
csc:KNHUKKLJHYUCFP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2796 ;
dbo:casNumber "637-07-0" ;
dbo:formula "C12H15ClO3" ;
dbo:inchi "InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3" ;
dbo:iupacName "Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate"@en ;
dbo:pubchem "2796"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clofbt" ;
skos:prefLabel "clofibraat"@nl .
csc:SASYSVUEVMOWPL-NXVVXOECSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5363234 ;
dbo:casNumber "3687-46-5" ;
dbo:formula "C28H54O2" ;
dbo:inchi "InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-" ;
dbo:iupacName "decyl (Z)-octadec-9-enoate"@en ;
dbo:pubchem "5363234"^^xsd:int ;
dbo:smiles "CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC" ;
dbp:inchikey "InChIKey=SASYSVUEVMOWPL-NXVVXOECSA-N" ;
skos:broader csc:CHEMONTID_0003322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10y9C18enat" ;
skos:prefLabel "decyl 9-octadecenoaat"@nl .
csc:HCTVWSOKIJULET-LQDWTQKMSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8605 ;
dbo:casNumber "87-08-1" , "132-98-9" , "8059-73-2" ;
dbo:formula "C16H17KN2O5S" ;
dbo:inchi "InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1" ;
dbo:iupacName "potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en ;
dbo:pubchem "8605"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]" ;
dbp:inchikey "InChIKey=HCTVWSOKIJULET-LQDWTQKMSA-M" ;
skos:altLabel "penicilline V"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penclnV" ;
skos:prefLabel "penicilline v"@nl .
csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4096 ;
dbo:casNumber "10265-92-6" , "65960-97-6" , "115182-35-9" ;
dbo:formula "C2H8NO2PS" ;
dbo:inchi "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)" ;
dbo:iupacName "(amino-methylsulfanylphosphoryl)oxymethane"@en ;
dbo:pubchem "4096"^^xsd:int ;
dbo:smiles "COP(=O)(N)SC" ;
dbp:inchikey "InChIKey=NNKVPIKMPCQWCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004665 ;
skos:exactMatch wise:CAS_10265-92-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mtmdfs" ;
skos:prefLabel "methamidofos"@nl ;
vcs:vmmParameterId "402"^^xsd:int .
csc:CHEMONTID_0002695
skos:narrower csc:XUKUURHRXDUEBC-KAYWLYCHSA-N .
csc:OYEHPCDNVJXUIW-VENIDDJXSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61709 ;
dbo:casNumber "13981-16-3" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-6" ;
dbo:iupacName "plutonium-238"@en ;
dbo:pubchem "61709"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-VENIDDJXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu238" ;
skos:prefLabel "plutonium 238"@nl .
csc:CHEMONTID_0001468
skos:narrower csc:UWFYSQMTEOIJJG-FDTZYFLXSA-N , csc:TZIZWYVVGLXXFV-FLRHRWPCSA-N , csc:RJKFOVLPORLFTN-LEKSSAKUSA-N , csc:ILKJAFIWWBXGDU-WRRBAOOESA-N , csc:FRQMUZJSZHZSGN-HBNHAYAOSA-N , csc:FNPXMHRZILFCKX-UHFFFAOYSA-N , csc:FAOZLTXFLGPHNG-KNAQIMQKSA-N , csc:CBGUOGMQLZIXBE-XGQKBEPLSA-N .
csc:GUAWMXYQZKVRCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69137 ;
dbo:casNumber "611-21-2" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3" ;
dbo:iupacName "N,2-Dimethylaniline"@en ;
dbo:pubchem "69137"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1NC" ;
dbp:inchikey "InChIKey=GUAWMXYQZKVRCW-UHFFFAOYSA-N" ;
skos:altLabel "n,2-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2DC1yAn" ;
skos:prefLabel "N,2-dimethylaniline"@nl .
csc:KIWBPDUYBMNFTB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6004 ;
dbo:casNumber "15066-87-2" , "540-82-9" ;
dbo:formula "C2H6O4S" ;
dbo:inchi "InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)" ;
dbo:iupacName "ethyl hydrogen sulfate"@en ;
dbo:pubchem "6004"^^xsd:int ;
dbo:smiles "CCOS(=O)(=O)O" ;
dbp:inchikey "InChIKey=KIWBPDUYBMNFTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ySO4" ;
skos:prefLabel "ethylsulfaat"@nl .
csc:APFVFJFRJDLVQX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359967 ;
dbo:casNumber "7440-74-6" ;
dbo:formula "In" ;
dbo:inchi "InChI=1S/In" ;
dbo:iupacName "INDIUM"@en ;
dbo:pubchem "5359967"^^xsd:int ;
dbo:smiles "[In]" ;
dbp:inchikey "InChIKey=APFVFJFRJDLVQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "In" ;
skos:prefLabel "indium"@nl .
csc:XEEYBQQBJWHFJM-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26815 ;
dbo:casNumber "14681-59-5" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe/i1-1" ;
dbo:iupacName "iron-55"@en ;
dbo:pubchem "26815"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "InChIKey=XEEYBQQBJWHFJM-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe55" ;
skos:prefLabel "ijzer 55"@nl .
csc:JIRRNZWTWJGJCT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10933 ;
dbo:casNumber "541-53-7" , "26641-95-2" ;
dbo:formula "C2H5N3S2" ;
dbo:inchi "InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)" ;
dbo:iupacName "carbamothioylthiourea"@en ;
dbo:pubchem "10933"^^xsd:int ;
dbo:smiles "C(=NC(=N)S)(N)S" ;
dbp:inchikey "InChIKey=JIRRNZWTWJGJCT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtoburt" ;
skos:prefLabel "dithiobiuret"@nl .
csc:KQUQKVGNBPTEFO-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61792 ;
dbo:casNumber "10198-45-5" , "60226-96-2" , "15339-36-3" , "7786-33-6" , "6379-47-1" ;
dbo:formula "C6H12MnN2S4" ;
dbo:inchi "InChI=1S/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2" ;
dbo:iupacName "dimethylaminomethanedithioate; manganese(+2) cation"@en ;
dbo:pubchem "61792"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Mn+2]" ;
dbp:inchikey "InChIKey=KQUQKVGNBPTEFO-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manm" ;
skos:prefLabel "manam"@nl .
csc:HEFNNWSXXWATRW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3672 ;
dbo:casNumber "58560-75-1" , "15687-27-1" ;
dbo:formula "C13H18O2" ;
dbo:inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)" ;
dbo:iupacName "2-[4-(2-methylpropyl)phenyl]propanoic acid"@en ;
dbo:pubchem "3672"^^xsd:int ;
dbo:smiles "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O" ;
dbp:inchikey "InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002551 ;
skos:exactMatch wise:CAS_15687-27-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ibpfn" ;
skos:prefLabel "ibuprofen"@nl ;
vcs:vmmParameterId "1400"^^xsd:int .
csc:KJCVRFUGPWSIIH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7005 ;
dbo:casNumber "50356-21-3" , "90-15-3" ;
dbo:formula "C10H8O" ;
dbo:inchi "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" ;
dbo:iupacName "naphthalen-1-ol"@en ;
dbo:pubchem "7005"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2O" ;
dbp:inchikey "InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002441 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOxNaf" ;
skos:prefLabel "1-hydroxynaftaleen"@nl .
csc:JXHJNEJVUNHLKO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37125 ;
dbo:casNumber "35400-43-2" ;
dbo:formula "C12H19O2PS3" ;
dbo:inchi "InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3" ;
dbo:iupacName "ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "37125"^^xsd:int ;
dbo:smiles "CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC" ;
dbp:inchikey "InChIKey=JXHJNEJVUNHLKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulpfs" ;
skos:prefLabel "sulprofos"@nl .
csc:CHEMONTID_0000305
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000305 ;
skos:definition "Compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000305" ;
skos:prefLabel "Pyrazolopyrimidines"@en .
csc:CHEMONTID_0000299
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000299 ;
skos:definition "Hydroxy acids with a 6 to 12 carbon atoms long side chain."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TUZYXOIXSAXUGO-PZAWKZKUSA-N ;
skos:notation "CHEMONTID:0000299" ;
skos:prefLabel "Medium-chain hydroxy acids and derivatives"@en .
csc:VIIZJXNVVJKISZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62340 ;
dbo:casNumber "93-90-3" ;
dbo:formula "C9H13NO" ;
dbo:inchi "InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3" ;
dbo:iupacName "2-(methyl-phenylamino)ethanol"@en ;
dbo:pubchem "62340"^^xsd:int ;
dbo:smiles "CN(CCO)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=VIIZJXNVVJKISZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FyC1yC2olAe" ;
skos:prefLabel "fenylmethylethanolamine"@nl .
csc:SNPPWIUOZRMYNY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:444 ;
dbo:casNumber "34841-39-9" , "34911-55-2" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3" ;
dbo:iupacName "2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one"@en ;
dbo:pubchem "444"^^xsd:int ;
dbo:smiles "CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C" ;
dbp:inchikey "InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "buppon" ;
skos:prefLabel "bupropion"@nl .
csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3118 ;
dbo:casNumber "298-04-4" ;
dbo:formula "C8H19O2PS3" ;
dbo:inchi "InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "3118"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCSCC" ;
dbp:inchikey "InChIKey=DOFZAZXDOSGAJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_298-04-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dsftn" ;
skos:prefLabel "disulfoton"@nl ;
vcs:vmmParameterId "397"^^xsd:int .
csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115224 ;
dbo:casNumber "111988-49-9" ;
dbo:formula "C10H9ClN4S" ;
dbo:inchi "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2" ;
dbo:iupacName "[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide"@en ;
dbo:pubchem "115224"^^xsd:int ;
dbo:smiles "C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=HOKKPVIRMVDYPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:exactMatch wise:CAS_111988-49-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiacpd" ;
skos:prefLabel "thiacloprid"@nl ;
vcs:vmmParameterId "1504"^^xsd:int .
csc:UWYHMGVUTGAWSP-JKIFEVAISA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6196 ;
dbo:casNumber "66-79-5" ;
dbo:formula "C19H19N3O5S" ;
dbo:inchi "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6196"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=UWYHMGVUTGAWSP-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oaclne" ;
skos:prefLabel "oxacilline"@nl .
csc:HSDSKVWQTONQBJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6985 ;
dbo:casNumber "89-74-7" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3" ;
dbo:iupacName "1-(2,4-DIMETHYLPHENYL)ETHANONE"@en ;
dbo:pubchem "6985"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(=O)C)C" ;
dbp:inchikey "InChIKey=HSDSKVWQTONQBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124DC1yFyC2o" ;
skos:prefLabel "1-(2,4-dimethylfenyl) ethanon"@nl .
csc:YACLQRRMGMJLJV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31369 ;
dbo:casNumber "184963-09-5" , "126-99-8" ;
dbo:formula "C4H5Cl" ;
dbo:inchi "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2" ;
dbo:iupacName "2-Chlorobuta-1,3-diene"@en ;
dbo:pubchem "31369"^^xsd:int ;
dbo:smiles "C=CC(=C)Cl" ;
dbp:inchikey "InChIKey=YACLQRRMGMJLJV-UHFFFAOYSA-N" ;
skos:altLabel "2-chloor-1,3-butadieen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_126-99-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpn" ;
skos:prefLabel "chloropreen"@nl ;
vcs:vmmParameterId "349"^^xsd:int .
csc:RHIROFAGUQOFLU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38200 ;
dbo:casNumber "39001-02-0" ;
dbo:formula "C12Cl8O" ;
dbo:inchi "InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15" ;
dbo:iupacName "1,2,3,4,6,7,8,9-Octachlorodibenzofuran"@en ;
dbo:pubchem "38200"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RHIROFAGUQOFLU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "octachloordibenzofuraan"@nl , "octachloordibenzofuraan (ocdf)"@nl , " octachloordibenzofuraan"@nl , "octachloordibenzofuran"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_39001-02-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF135" ;
skos:prefLabel "1,2,3,4,6,7,8,9-octachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1246"^^xsd:int .
csc:CHEMONTID_0000363
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000363 ;
skos:definition "Organic compounds containing the cyanate functional group with the formula [OCN]-."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XLJMAIOERFSOGZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000363" ;
skos:prefLabel "Cyanates"@en .
csc:UCKMPCXJQFINFW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29109 ;
dbo:casNumber "18496-25-8" ;
dbo:formula "S-2" ;
dbo:inchi "InChI=1S/S/q-2" ;
dbo:iupacName "Sulfide"@en ;
dbo:pubchem "29109"^^xsd:int ;
dbo:smiles "[S-2]" ;
dbp:inchikey "InChIKey=UCKMPCXJQFINFW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_040 , co:WAC_III_C_041 ;
skos:altLabel "sulfide (opgeloste en in zuur milieu oplosbare)"@nl ;
skos:broader csc:CHEMONTID_0000555 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "S" ;
skos:prefLabel "sulfide"@nl .
csc:IOQPZZOEVPZRBK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8143 ;
dbo:casNumber "68037-94-5" , "191113-89-0" , "111-86-4" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3" ;
dbo:iupacName "octan-1-amine"@en ;
dbo:pubchem "8143"^^xsd:int ;
dbo:smiles "CCCCCCCCN" ;
dbp:inchikey "InChIKey=IOQPZZOEVPZRBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC8a" ;
skos:prefLabel "1-aminooctaan"@nl .
csc:WATWJIUSRGPENY-AKLPVKDBSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335317 ;
dbo:casNumber "14234-35-6" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+3" ;
dbo:iupacName "antimony-125"@en ;
dbo:pubchem "6335317"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb125" ;
skos:prefLabel "antimoon 125"@nl .
csc:YUGWDVYLFSETPE-JLHYYAGUSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6434488 ;
dbo:casNumber "98311-74-1" , "54406-48-3" , "96895-17-9" , "92836-82-3" ;
dbo:formula "C18H26O2" ;
dbo:inchi "InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+" ;
dbo:iupacName "[(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "6434488"^^xsd:int ;
dbo:smiles "CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C" ;
dbp:inchikey "InChIKey=YUGWDVYLFSETPE-JLHYYAGUSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emptn" ;
skos:prefLabel "empenthrin"@nl .
list:class a rdf:List ;
rdf:first cscl:class ;
rdf:rest list:subclass ;
skos:prefLabel "Niveau klasse"@nl .
csc:CHEMONTID_0000278
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000278 ;
skos:definition "Organic compounds containing a nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000278" ;
skos:prefLabel "Organonitrogen compounds"@en .
csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43079 ;
dbo:casNumber "59756-60-4" ;
dbo:formula "C19H14F3NO" ;
dbo:inchi "InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3" ;
dbo:iupacName "1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one"@en ;
dbo:pubchem "43079"^^xsd:int ;
dbo:smiles "CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=YWBVHLJPRPCRSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurdn" ;
skos:prefLabel "fluridon"@nl .
csc:WJNRPILHGGKWCK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4937 ;
dbo:casNumber "139-40-2" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4937"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C" ;
dbp:inchikey "InChIKey=WJNRPILHGGKWCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_139-40-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propzne" ;
skos:prefLabel "propazine"@nl ;
vcs:vmmParameterId "279"^^xsd:int .
csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11567 ;
dbo:casNumber "625-96-7" , "591-24-2" , "24965-87-5" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "3-methylcyclohexan-1-one"@en ;
dbo:pubchem "11567"^^xsd:int ;
dbo:smiles "CC1CCCC(=O)C1" ;
dbp:inchikey "InChIKey=UJBOOUHRTQVGRU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_007 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "3-methylcyclohexanon"@nl .
csc:LEOCKULGXOQRTQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33121 ;
dbo:casNumber "25637-99-4" , "22374-57-8" ;
dbo:formula "C12H18Br6" ;
dbo:inchi "InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2" ;
dbo:iupacName "1,3,5,7,9,11-hexabromocyclododecane"@en ;
dbo:pubchem "33121"^^xsd:int ;
dbo:smiles "C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=LEOCKULGXOQRTQ-UHFFFAOYSA-N" ;
skos:altLabel "som hbcd (technisch mengsel, niet-gespecif. broom-posities)"@nl ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HBCD" ;
skos:prefLabel "som HBCD (technisch mengsel, niet-gespecif. broom-posities)"@nl .
csc:BAPJBEWLBFYGME-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7294 ;
dbo:casNumber "96-33-3" , "102256-29-1" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" ;
dbo:iupacName "methyl prop-2-enoate"@en ;
dbo:pubchem "7294"^^xsd:int ;
dbo:smiles "COC(=O)C=C" ;
dbp:inchikey "InChIKey=BAPJBEWLBFYGME-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yaclt" ;
skos:prefLabel "methylacrylaat"@nl .
csc:FAOSYNUKPVJLNZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16996 ;
dbo:casNumber "2406-65-7" ;
dbo:formula "C4H12Sn" ;
dbo:inchi "InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;" ;
dbo:iupacName "BUTYLSTANNANE"@en ;
dbo:pubchem "16996"^^xsd:int ;
dbo:smiles "CCCC[SnH3]" ;
dbp:inchikey "InChIKey=FAOSYNUKPVJLNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004150 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monobutyltin"@nl .
csc:KRRBFUJMQBDDPR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:165872 ;
dbo:casNumber "71887-25-7" , "10442-39-4" ;
dbo:formula "C17H36N2" ;
dbo:inchi "InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1" ;
dbo:iupacName "tetrabutylazanium cyanide"@en ;
dbo:pubchem "165872"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N" ;
dbp:inchikey "InChIKey=KRRBFUJMQBDDPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4CN" ;
skos:prefLabel "tetrabutylammonium cyanide"@nl .
csc:FVAUCKIRQBBSSJ-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5238 ;
dbo:casNumber "61456-04-0" , "59216-98-7" , "41927-88-2" , "7681-82-5" ;
dbo:formula "INa" ;
dbo:inchi "InChI=1S/HI.Na/h1H;/q;+1/p-1" ;
dbo:iupacName "Sodium Iodide"@en ;
dbo:pubchem "5238"^^xsd:int ;
dbo:smiles "[Na+].[I-]" ;
dbp:inchikey "InChIKey=FVAUCKIRQBBSSJ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaI" ;
skos:prefLabel "natriumjodide"@nl .
csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6230 ;
dbo:casNumber "68-22-4" ;
dbo:formula "C20H26O2" ;
dbo:inchi "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6230"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "noretsrn" ;
skos:prefLabel "norethisteron"@nl .
csc:OZHJEQVYCBTHJT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6906 ;
dbo:casNumber "26101-97-3" , "87-83-2" ;
dbo:formula "C7H3Br5" ;
dbo:inchi "InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-methylbenzene"@en ;
dbo:pubchem "6906"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=OZHJEQVYCBTHJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pentabroomtolueen"@nl .
csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25485 ;
dbo:casNumber "13588-28-8" , "112388-78-0" , "83730-60-3" , "197632-43-2" , "12002-35-6" , "104512-57-4" , "34590-94-8" ;
dbo:formula "C7H16O3" ;
dbo:inchi "InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "2-(2-methoxypropoxy)propan-1-ol"@en ;
dbo:pubchem "25485"^^xsd:int ;
dbo:smiles "CC(CO)OCC(C)OC" ;
dbp:inchikey "InChIKey=CUDYYMUUJHLCGZ-UHFFFAOYSA-N" ;
skos:altLabel "2-(2-methoxypropoxy)-1-propanol"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1oxC3ox1C" , "DC3yegcC1yEt" ;
skos:prefLabel "dipropyleenglycolmonomethylether"@nl .
csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38881 ;
dbo:casNumber "41464-51-1" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene"@en ;
dbo:pubchem "38881"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JTUSORDQZVOEAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB97" ;
skos:prefLabel "2,2',3,4',5'-pentachloorbifenyl"@nl .
csc:QBAYIBZITZBSFO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67759 ;
dbo:casNumber "360-64-5" ;
dbo:formula "C8H6F3NO" ;
dbo:inchi "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" ;
dbo:iupacName "2-(Trifluoromethyl)benzamide"@en ;
dbo:pubchem "67759"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" ;
dbp:inchikey "InChIKey=QBAYIBZITZBSFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2TFC1yBenAd" ;
skos:prefLabel "2-trifluoromethylbenzamide"@nl .
csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'"@nl , "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'"@nl , "VLAR III (D3, diverse art) 'Cr'"@nl ;
rdfs:seeAlso compound:23976 ;
dbo:casNumber "7440-47-3" , "19498-56-7" , "195161-82-1" , "188785-87-7" ;
dbo:formula "Cr" ;
dbo:inchi "InChI=1S/Cr" ;
dbo:iupacName "Chromium"@en ;
dbo:pubchem "23976"^^xsd:int ;
dbo:smiles "[Cr]" ;
dbp:inchikey "InChIKey=VYZAMTAEIAYCRO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "chroom"@nl , "chroom (cr)"@nl , "chroom, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)"@nl ;
skos:exactMatch wise:CAS_7440-47-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cr" ;
skos:prefLabel "Chroom (Cr)"@nl ;
vcs:vmmParameterId "1929"^^xsd:int , "154"^^xsd:int , "155"^^xsd:int , "153"^^xsd:int .
csc:DAIIXVPKQATIMF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18505 ;
dbo:casNumber "3175-23-3" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3" ;
dbo:iupacName "1,2,2-TRICHLOROPROPANE"@en ;
dbo:pubchem "18505"^^xsd:int ;
dbo:smiles "CC(CCl)(Cl)Cl" ;
dbp:inchikey "InChIKey=DAIIXVPKQATIMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "122TClC3a" ;
skos:prefLabel "1,2,2-trichloorpropaan"@nl .
csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71188 ;
dbo:casNumber "93106-60-6" ;
dbo:formula "C19H22FN3O3" ;
dbo:inchi "InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)" ;
dbo:iupacName "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "71188"^^xsd:int ;
dbo:smiles "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F" ;
dbp:inchikey "InChIKey=SPFYMRJSYKOXGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enrfxcne" ;
skos:prefLabel "enrofloxacine"@nl .
csc:KZBUYRJDOAKODT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'"@nl , "VLAR II (D5)"@nl , "VLAR III (D3) 'chloorgas'"@nl , "VLAR II bijl. 4.4.2 'chloorgas'"@nl , "VLAR III (D3) 'chloor, uitgedrukt als Cl2'"@nl , "VLAR II bijl. 2.5.1"@nl ;
rdfs:seeAlso compound:24526 ;
dbo:casNumber "7782-50-5" ;
dbo:formula "Cl2" ;
dbo:inchi "InChI=1S/Cl2/c1-2" ;
dbo:iupacName "Molecular chlorine"@en ;
dbo:pubchem "24526"^^xsd:int ;
dbo:smiles "ClCl" ;
dbp:inchikey "InChIKey=KZBUYRJDOAKODT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_002 ;
skos:altLabel "chloor"@nl ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cl2" ;
skos:prefLabel "dichloor"@nl .
csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4828 ;
dbo:casNumber "13523-86-9" , "21870-06-4" ;
dbo:formula "C14H20N2O2" ;
dbo:inchi "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3" ;
dbo:iupacName "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4828"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O" ;
dbp:inchikey "InChIKey=JZQKKSLKJUAGIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pindll" ;
skos:prefLabel "pindolol"@nl .
csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23705 ;
dbo:casNumber "7281-04-1" ;
dbo:formula "C21H38BrN" ;
dbo:inchi "InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-dimethylazanium bromide"@en ;
dbo:pubchem "23705"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]" ;
dbp:inchikey "InChIKey=KHSLHYAUZSPBIU-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDBAB" ;
skos:prefLabel "dodecyldimethylbenzylammoniumbromide"@nl .
csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8154 ;
dbo:casNumber "139272-33-6" , "79728-63-5" , "68002-63-1" , "112-02-7" , "53023-95-3" , "146909-27-5" ;
dbo:formula "C19H42ClN" ;
dbo:inchi "InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "hexadecyl-trimethylazanium chloride"@en ;
dbo:pubchem "8154"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "InChIKey=WOWHHFRSBJGXCM-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C16ylTC1ylNH" ;
skos:prefLabel "hexadecyltrimethylammoniumchloride"@nl .
csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92316 ;
dbo:casNumber "40020-01-7" ;
dbo:formula "C10H7ClN2O" ;
dbo:inchi "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" ;
dbo:iupacName "6-chloro-3-phenyl-1H-pyridazin-4-one"@en ;
dbo:pubchem "92316"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl" ;
dbp:inchikey "InChIKey=ZUSHSDOEVHPTCU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdfl" ;
skos:prefLabel "pyridafol"@nl .
csc:QXJKBPAVAHBARF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36242 ;
dbo:casNumber "68444-90-6" , "60120-20-9" , "32809-16-8" ;
dbo:formula "C13H11Cl2NO2" ;
dbo:inchi "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3" ;
dbo:iupacName "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione"@en ;
dbo:pubchem "36242"^^xsd:int ;
dbo:smiles "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C" ;
dbp:inchikey "InChIKey=QXJKBPAVAHBARF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "procmdn" ;
skos:prefLabel "procymidon"@nl .
csc:XUKUURHRXDUEBC-KAYWLYCHSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60823 ;
dbo:casNumber "134523-00-5" ;
dbo:formula "C33H35FN2O5" ;
dbo:inchi "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1" ;
dbo:iupacName "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid"@en ;
dbo:pubchem "60823"^^xsd:int ;
dbo:smiles "CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4" ;
dbp:inchikey "InChIKey=XUKUURHRXDUEBC-KAYWLYCHSA-N" ;
skos:broader csc:CHEMONTID_0002695 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atvttne" ;
skos:prefLabel "atorvastatine"@nl .
csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24340 ;
dbo:casNumber "7681-52-9" , "227453-69-2" , "8007-59-8" , "56172-57-7" ;
dbo:formula "ClNaO" ;
dbo:inchi "InChI=1S/ClO.Na/c1-2;/q-1;+1" ;
dbo:iupacName "SODIUM HYPOCHLORITE"@en ;
dbo:pubchem "24340"^^xsd:int ;
dbo:smiles "[O-]Cl.[Na+]" ;
dbp:inchikey "InChIKey=SUKJFIGYRHOWBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaOCl" ;
skos:prefLabel "natriumhypochloriet"@nl .
csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7406 ;
dbo:casNumber "68333-89-1" , "144637-93-4" , "172867-64-0" , "56748-62-0" , "63849-49-0" , "98444-30-5" , "68411-37-0" , "9044-64-8" , "40494-15-3" , "58033-91-3" , "86090-91-7" , "9055-91-8" , "172641-48-4" , "60120-16-3" , "55465-00-4" , "60880-98-0" , "53112-49-5" , "39470-87-6" , "52932-49-7" , "57657-06-4" , "61584-90-5" , "61584-89-2" , "12627-11-1" , "51609-83-7" , "120037-99-2" , "98-82-8" , "51609-87-1" , "11120-46-0" , "105270-05-1" , "56451-72-0" , "117079-77-3" , "53986-84-8" , "55128-06-8" , "68553-94-6" , "60328-46-3" , "54596-41-7" , "81834-12-0" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" ;
dbo:iupacName "cumene"@en ;
dbo:pubchem "7406"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=RWGFKTVRMDUZSP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "isopropylbenzeen"@nl , "isopropylbenzeen (cumeen)"@nl ;
skos:broader csc:CHEMONTID_0000355 ;
skos:exactMatch wise:CAS_98-82-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumn" ;
skos:prefLabel "cumeen"@nl ;
vcs:vmmParameterId "221"^^xsd:int .
csc:CUONGYYJJVDODC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8010 ;
dbo:casNumber "109-77-3" , "144804-99-9" ;
dbo:formula "C3H2N2" ;
dbo:inchi "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2" ;
dbo:iupacName "Propanedinitrile"@en ;
dbo:pubchem "8010"^^xsd:int ;
dbo:smiles "C(C#N)C#N" ;
dbp:inchikey "InChIKey=CUONGYYJJVDODC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malnntl" ;
skos:prefLabel "malononitril"@nl .
csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:294 ;
dbo:casNumber "13360-52-6" , "63-42-3" , "69-79-4" , "16462-44-5" , "528-50-7" ;
dbo:formula "C12H22O11" ;
dbo:inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2" ;
dbo:iupacName "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol"@en ;
dbo:pubchem "294"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O" ;
dbp:inchikey "InChIKey=GUBGYTABKSRVRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lactse" ;
skos:prefLabel "lactose"@nl .
csc:LLWADFLAOKUBDR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7207 ;
dbo:casNumber "94-81-5" ;
dbo:formula "C11H13ClO3" ;
dbo:inchi "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)" ;
dbo:iupacName "4-(4-Chloro-2-methylphenoxy)butanoic acid"@en ;
dbo:pubchem "7207"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O" ;
dbp:inchikey "InChIKey=LLWADFLAOKUBDR-UHFFFAOYSA-N" ;
skos:altLabel "4-(4-chloor-2-methylfenoxy)boterzuur"@nl , "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:exactMatch wise:CAS_94-81-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPB" ;
skos:prefLabel "2-methyl-4-chloorfenoxyboterzuur"@nl ;
vcs:vmmParameterId "507"^^xsd:int .
csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3032831 ;
dbo:casNumber "27157-66-0" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3" ;
dbo:iupacName "2-decylphenol"@en ;
dbo:pubchem "3032831"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=FDIPWBUDOCPIMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "decylfenol"@nl .
csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3463 ;
dbo:casNumber "25812-30-0" ;
dbo:formula "C15H22O3" ;
dbo:inchi "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)" ;
dbo:iupacName "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid"@en ;
dbo:pubchem "3463"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O" ;
dbp:inchikey "InChIKey=HEMJJKBWTPKOJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gemfbzl" ;
skos:prefLabel "gemfibrozil"@nl .
csc:HZHFFEYYPYZMNU-UHFFFAOYSA-K
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153921 ;
dbo:casNumber "131410-48-5" ;
dbo:formula "C16H26GdN5O8" ;
dbo:inchi "InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3" ;
dbo:iupacName "2-[bis[2-[(2-methylamino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation"@en ;
dbo:pubchem "153921"^^xsd:int ;
dbo:smiles "CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "InChIKey=HZHFFEYYPYZMNU-UHFFFAOYSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gaddamde" ;
skos:prefLabel "gadodiamide"@nl .
csc:CHEMONTID_0002547
skos:narrower csc:NFQIYHPAGNZAOO-UHFFFAOYSA-N .
csc:RECUKUPTGUEGMW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10364 ;
dbo:casNumber "499-75-2" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3" ;
dbo:iupacName "2-methyl-5-propan-2-ylphenol"@en ;
dbo:pubchem "10364"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)C(C)C)O" ;
dbp:inchikey "InChIKey=RECUKUPTGUEGMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5iC3y2C1yFol" ;
skos:prefLabel "5-isopropyl-2-methylfenol"@nl .
csc:FWWQKRXKHIRPJY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12533 ;
dbo:casNumber "638-66-4" ;
dbo:formula "C18H36O" ;
dbo:inchi "InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3" ;
dbo:iupacName "Octadecanal"@en ;
dbo:pubchem "12533"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC=O" ;
dbp:inchikey "InChIKey=FWWQKRXKHIRPJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18al" ;
skos:prefLabel "octadecanal"@nl .
csc:CHEMONTID_0000321
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000321 ;
skos:definition "Organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BTFQKIATRPGRBS-UHFFFAOYSA-N , csc:HUMNYLRZRPPJDN-UHFFFAOYSA-N , csc:GISVICWQYMUPJF-UHFFFAOYSA-N , csc:ZRSNZINYAWTAHE-UHFFFAOYSA-N , csc:OVWYEQOVUDKZNU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000321" ;
skos:prefLabel "Benzoyl derivatives"@en .
csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:50897 ;
dbo:casNumber "69806-50-4" , "86334-14-7" ;
dbo:formula "C19H20F3NO4" ;
dbo:inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3" ;
dbo:iupacName "butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "50897"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=VAIZTNZGPYBOGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfC4y" ;
skos:prefLabel "fluazifop-butyl"@nl .
csc:JANBFCARANRIKJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69059 ;
dbo:casNumber "605-50-5" ;
dbo:formula "C18H26O4" ;
dbo:inchi "InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3" ;
dbo:iupacName "bis(3-methylbutyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "69059"^^xsd:int ;
dbo:smiles "CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C" ;
dbp:inchikey "InChIKey=JANBFCARANRIKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isopentylftalaat"@nl .
csc:OORLZFUTLGXMEF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86369 ;
dbo:casNumber "111991-58-3" , "122836-35-5" ;
dbo:formula "C11H10Cl2F2N4O3S" ;
dbo:inchi "InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3" ;
dbo:iupacName "N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide"@en ;
dbo:pubchem "86369"^^xsd:int ;
dbo:smiles "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl" ;
dbp:inchikey "InChIKey=OORLZFUTLGXMEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfntzn" ;
skos:prefLabel "sulfentrazon"@nl .
csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:108201 ;
dbo:casNumber "30125-63-4" ;
dbo:formula "C7H12ClN5" ;
dbo:inchi "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" ;
dbo:iupacName "N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "108201"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "InChIKey=LMKQNTMFZLAJDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_30125-63-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2ytC4yaz" ;
skos:prefLabel "desethylterbutylazine"@nl ;
vcs:vmmParameterId "1392"^^xsd:int .
csc:UUSQFLGKGQEVCM-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29563 ;
dbo:casNumber "19379-90-9" ;
dbo:formula "C23H42ClNO2" ;
dbo:inchi "InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride"@en ;
dbo:pubchem "29563"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=UUSQFLGKGQEVCM-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzxnuCl" ;
skos:prefLabel "benzoxoniumchloride"@nl .
csc:LWHQXUODFPPQTL-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:67637 ;
dbo:casNumber "335-95-5" ;
dbo:formula "C8F15NaO2" ;
dbo:inchi "InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1" ;
dbo:iupacName "sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate"@en ;
dbo:pubchem "67637"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]" ;
dbp:inchikey "InChIKey=LWHQXUODFPPQTL-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_Na" ;
skos:prefLabel "perfluoroctaanzuur, natriumzout"@nl .
csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:785 ;
dbo:casNumber "123-31-9" , "57534-13-1" , "8027-02-9" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" ;
dbo:iupacName "Benzene-1,4-diol"@en ;
dbo:pubchem "785"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)O" ;
dbp:inchikey "InChIKey=QIGBRXMKCJKVMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000136 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DHOxBen" ;
skos:prefLabel "1,4-dihydroxybenzeen"@nl .
csc:BERQWQSQOIEUMA-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:88066 ;
dbo:casNumber "19437-42-4" ;
dbo:formula "C10H7NaO9S3" ;
dbo:inchi "InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1" ;
dbo:iupacName "sodium 3,6-disulfonaphthalene-1-sulfonate"@en ;
dbo:pubchem "88066"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=BERQWQSQOIEUMA-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf136TsfntN" ;
skos:prefLabel "naftaleen-1,3,6-trisulfonaat,natriumzout"@nl .
csc:CHEMONTID_0002611
skos:narrower csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N , csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N , csc:MRUDNSFOFOQZDA-UHFFFAOYSA-N , csc:HSSBORCLYSCBJR-UHFFFAOYSA-N , csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N .
csc:YERASKROMPMIBM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62310 ;
dbo:casNumber "111512-56-2" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H" ;
dbo:iupacName "1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62310"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(C(F)(Cl)Cl)F" ;
dbp:inchikey "InChIKey=YERASKROMPMIBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225eb" ;
skos:prefLabel "1,1-dichloor-1,2,3,3,3-pentafluorpropaan"@nl .
csc:OPASCBHCTNRLRM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12541 ;
dbo:casNumber "640-15-3" ;
dbo:formula "C6H15O2PS3" ;
dbo:inchi "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3" ;
dbo:iupacName "2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "12541"^^xsd:int ;
dbo:smiles "CCSCCSP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=OPASCBHCTNRLRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tomtn" ;
skos:prefLabel "thiometon"@nl .
csc:OJYGBLRPYBAHRT-OPKHMCHVSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27525 ;
dbo:casNumber "15879-93-3" ;
dbo:formula "C8H11Cl3O6" ;
dbo:inchi "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1" ;
dbo:iupacName "1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol"@en ;
dbo:pubchem "27525"^^xsd:int ;
dbo:smiles "C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O" ;
dbp:inchikey "InChIKey=OJYGBLRPYBAHRT-OPKHMCHVSA-N" ;
skos:broader csc:CHEMONTID_0001540 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlorlse" ;
skos:prefLabel "chloralose"@nl .
csc:KEAYESYHFKHZAL-BJUDXGSMSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328543 ;
dbo:casNumber "13966-32-0" ;
dbo:formula "Na" ;
dbo:inchi "InChI=1S/Na/i1-1" ;
dbo:iupacName "sodium-22"@en ;
dbo:pubchem "6328543"^^xsd:int ;
dbo:smiles "[Na]" ;
dbp:inchikey "InChIKey=KEAYESYHFKHZAL-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na22" ;
skos:prefLabel "natrium 22"@nl .
csc:DUZVBQWEFKXWJM-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3053343 ;
dbo:casNumber "69806-34-4" , "69806-86-6" ;
dbo:formula "C15H10ClF3NNaO4" ;
dbo:inchi "InChI=1S/C15H11ClF3NO4.Na/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19;/h2-8H,1H3,(H,21,22);/q;+1/p-1" ;
dbo:iupacName "sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "3053343"^^xsd:int ;
dbo:smiles "CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl.[Na+]" ;
dbp:inchikey "InChIKey=DUZVBQWEFKXWJM-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfp" ;
skos:prefLabel "haloxyfop"@nl .
csc:ODLMAHJVESYWTB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7668 ;
dbo:casNumber "103-65-1" , "74296-31-4" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" ;
dbo:iupacName "Propylbenzene"@en ;
dbo:pubchem "7668"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=ODLMAHJVESYWTB-UHFFFAOYSA-N" ;
skos:altLabel "n-propylbenzeen"@nl , "propylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_103-65-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3yBen" ;
skos:prefLabel "1-propylbenzeen"@nl ;
vcs:vmmParameterId "535"^^xsd:int .
csc:MTLMVEWEYZFYTH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:37247 ;
dbo:casNumber "35693-92-6" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H" ;
dbo:iupacName "1,3,5-trichloro-2-phenylbenzene"@en ;
dbo:pubchem "37247"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MTLMVEWEYZFYTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB30" ;
skos:prefLabel "2,4,6-trichloorbifenyl"@nl .
csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7257 ;
dbo:casNumber "95-76-1" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2" ;
dbo:iupacName "3,4-Dichloroaniline"@en ;
dbo:pubchem "7257"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)Cl" ;
dbp:inchikey "InChIKey=SDYWXFYBZPNOFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-76-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClAn" ;
skos:prefLabel "3,4-dichlooraniline"@nl ;
vcs:vmmParameterId "48"^^xsd:int .
csc:CHEMONTID_0000294
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000294 ;
skos:definition "Organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FGXWKSZFVQUSTL-UHFFFAOYSA-N , csc:UYJUZNLFJAWNEZ-UHFFFAOYSA-N , csc:WJCNZQLZVWNLKY-UHFFFAOYSA-N , csc:VNENJHUOPQAPAT-UHFFFAOYSA-N , csc:BEZZFPOZAYTVHN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000294" ;
skos:prefLabel "Benzimidazoles"@en .
csc:YNJBWRMUSHSURL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6421 ;
dbo:casNumber "76-03-9" ;
dbo:formula "C2HCl3O2" ;
dbo:inchi "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2,2-trichloroacetic acid"@en ;
dbo:pubchem "6421"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Cl)O" ;
dbp:inchikey "InChIKey=YNJBWRMUSHSURL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClHAc" ;
skos:prefLabel "trichloorazijnzuur"@nl .
csc:XGXUGXPKRBQINS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27011 ;
dbo:casNumber "21702-84-1" ;
dbo:formula "C7H6Br2O" ;
dbo:inchi "InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3" ;
dbo:iupacName "2,4-dibromo-1-methoxybenzene"@en ;
dbo:pubchem "27011"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Br)Br" ;
dbp:inchikey "InChIKey=XGXUGXPKRBQINS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DBransl" ;
skos:prefLabel "2,4-dibroomanisol"@nl .
csc:CHEMONTID_0001925
skos:narrower csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N , csc:ZZUFCTLCJUWOSV-UHFFFAOYSA-N , csc:QKLPUVXBJHRFQZ-UHFFFAOYSA-N , csc:JNMRHUJNCSQMMB-UHFFFAOYSA-N , csc:QPPBRPIAZZHUNT-UHFFFAOYSA-N , csc:XOXHILFPRYWFOD-UHFFFAOYSA-N , csc:PJSFRIWCGOHTNF-UHFFFAOYSA-N , csc:SEEPANYCNGTZFQ-UHFFFAOYSA-N , csc:VACCAVUAMIDAGB-UHFFFAOYSA-N , csc:ASWVTGNCAZCNNR-UHFFFAOYSA-N , csc:GECHUMIMRBOMGK-UHFFFAOYSA-N , csc:VLYWMPOKSSWJAL-UHFFFAOYSA-N , csc:ZZORFUFYDOWNEF-UHFFFAOYSA-N , csc:VGPYEHKOIGNJKV-UHFFFAOYSA-N .
csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7693 ;
dbo:casNumber "104-12-1" ;
dbo:formula "C7H4ClNO" ;
dbo:inchi "InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H" ;
dbo:iupacName "1-Chloro-4-isocyanatobenzene"@en ;
dbo:pubchem "7693"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N=C=O)Cl" ;
dbp:inchikey "InChIKey=ADAKRBAJFHTIEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pClFyiCN" ;
skos:prefLabel "p-chloorfenylisocyanaat"@nl .
csc:UMFJAHHVKNCGLG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6124 ;
dbo:casNumber "62-75-9" ;
dbo:formula "C2H6N2O" ;
dbo:inchi "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" ;
dbo:iupacName "N,N-dimethylnitrous amide"@en ;
dbo:pubchem "6124"^^xsd:int ;
dbo:smiles "CN(C)N=O" ;
dbp:inchikey "InChIKey=UMFJAHHVKNCGLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yNOAe" ;
skos:prefLabel "dimethylnitrosamine"@nl .
csc:HAWPXGHAZFHHAD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4033 ;
dbo:casNumber "51-75-2" ;
dbo:formula "C5H11Cl2N" ;
dbo:inchi "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3" ;
dbo:iupacName "2-Chloro-N-(2-chloroethyl)-N-methylethanamine"@en ;
dbo:pubchem "4033"^^xsd:int ;
dbo:smiles "CN(CCCl)CCCl" ;
dbp:inchikey "InChIKey=HAWPXGHAZFHHAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000398 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mustne" ;
skos:prefLabel "mustine"@nl .
csc:VWGNQYSIWFHEQU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33772 ;
dbo:casNumber "26880-48-8" , "27304-13-8" ;
dbo:formula "C10H4Cl8O" ;
dbo:inchi "InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H" ;
dbo:iupacName "1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene"@en ;
dbo:pubchem "33772"^^xsd:int ;
dbo:smiles "C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VWGNQYSIWFHEQU-UHFFFAOYSA-N" ;
skos:altLabel "oxychlordaan"@nl ;
skos:broader csc:CHEMONTID_0002012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxCldn" ;
skos:prefLabel "oxychloordaan"@nl .
csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10687 ;
dbo:casNumber "526-75-0" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3" ;
dbo:iupacName "2,3-Dimethylphenol"@en ;
dbo:pubchem "10687"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)O)C" ;
dbp:inchikey "InChIKey=QWBBPBRQALCEIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_526-75-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yFol" ;
skos:prefLabel "2,3-dimethylfenol"@nl ;
vcs:vmmParameterId "698"^^xsd:int .
csc:HEWZVZIVELJPQZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6495 ;
dbo:casNumber "77-76-9" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" ;
dbo:iupacName "2,2-Dimethoxypropane"@en ;
dbo:pubchem "6495"^^xsd:int ;
dbo:smiles "CC(C)(OC)OC" ;
dbp:inchikey "InChIKey=HEWZVZIVELJPQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1oxC3a" ;
skos:prefLabel "2,2-dimethoxypropaan"@nl .
csc:CHEMONTID_0000215
skos:narrower csc:YZIYKJHYYHPJIB-UUPCJSQJSA-N .
csc:BOSMZFBHAYFUBJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6529 ;
dbo:casNumber "1330-78-5" , "78-32-0" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3" ;
dbo:iupacName "tris(4-methylphenyl) phosphate"@en ;
dbo:pubchem "6529"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C" ;
dbp:inchikey "InChIKey=BOSMZFBHAYFUBJ-UHFFFAOYSA-N" ;
skos:altLabel "tri-p-cresylfosfaat"@nl ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcsPO4" , "TpcsPO4" ;
skos:prefLabel "tricresylfosfaat"@nl .
csc:PGIBJVOPLXHHGS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6788 ;
dbo:casNumber "84-77-5" ;
dbo:formula "C28H46O4" ;
dbo:inchi "InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3" ;
dbo:iupacName "didecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6788"^^xsd:int ;
dbo:smiles "CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC" ;
dbp:inchikey "InChIKey=PGIBJVOPLXHHGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC10yFt" ;
skos:prefLabel "didecylftalaat"@nl .
csc:UQSXHKLRYXJYBZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14945 ;
dbo:casNumber "1345-25-1" ;
dbo:formula "FeO" ;
dbo:inchi "InChI=1S/Fe.O" ;
dbo:iupacName "oxoiron"@en ;
dbo:pubchem "14945"^^xsd:int ;
dbo:smiles "O=[Fe]" ;
dbp:inchikey "InChIKey=UQSXHKLRYXJYBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeO" ;
skos:prefLabel "ijzeroxide"@nl .
csc:DTCJYIIKPVRVDD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16007 ;
dbo:casNumber "1929-88-0" ;
dbo:formula "C9H9N3OS" ;
dbo:inchi "InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)" ;
dbo:iupacName "1-(1,3-Benzothiazol-2-yl)-3-methylurea"@en ;
dbo:pubchem "16007"^^xsd:int ;
dbo:smiles "CNC(=O)NC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "InChIKey=DTCJYIIKPVRVDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benztazrn" ;
skos:prefLabel "benzthiazuron"@nl .
csc:CHEMONTID_0001357
skos:narrower csc:XOJVVFBFDXDTEG-UHFFFAOYSA-N , csc:GGYKPYDKXLHNTI-UHFFFAOYSA-N , csc:BOTWFXYSPFMFNR-PYDDKJGSSA-N , csc:BOTWFXYSPFMFNR-HMMYKYKNSA-N , csc:AJAKLDUGVSKVDG-UHFFFAOYSA-N .
csc:XSXWOBXNYNULJG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62530 ;
dbo:casNumber "30105-54-5" , "209859-96-1" , "3884-95-5" , "62744-41-6" , "27193-28-8" , "29932-96-5" , "1322-69-6" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3" ;
dbo:iupacName "2-(2,4,4-trimethylpentan-2-yl)phenol"@en ;
dbo:pubchem "62530"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=XSXWOBXNYNULJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sttC8yFol" ;
skos:prefLabel "som tertiair-octylfenol-isomeren"@nl .
csc:IZFZCMFMJKDHJZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91625 ;
dbo:casNumber "37893-02-0" ;
dbo:formula "C17H10F6N4S" ;
dbo:inchi "InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "N2,3-di(phenyl)-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine"@en ;
dbo:pubchem "91625"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=C2N(C(=NC(F)(F)F)C(=NC(F)(F)F)S2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=IZFZCMFMJKDHJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubzmne" ;
skos:prefLabel "flubenzimine"@nl .
csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:53036 ;
dbo:casNumber "74472-37-0" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "53036"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SXZSFWHOSHAKMN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,4',5-pentachloorbifenyl (pcb114)"@nl , "pcb 114"@nl , "PCB 114"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_74472-37-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB114" ;
skos:prefLabel "2,3,4,4',5-pentachloorbifenyl"@nl ;
vcs:vmmParameterId "1371"^^xsd:int .
csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:3283 ;
dbo:casNumber "70131-58-7" , "69013-19-0" , "69227-20-9" , "74446-43-8" , "7578-39-4" , "71011-10-4" , "68991-48-0" , "60-29-7" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "Ethoxyethane"@en ;
dbo:pubchem "3283"^^xsd:int ;
dbo:smiles "CCOCC" ;
dbp:inchikey "InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_008 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:altLabel "diethylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yEtr" ;
skos:prefLabel "di-ethylether"@nl .
csc:CHEMONTID_0001983
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001983 ;
skos:definition "Compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WXFWXFIWDGJRSC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001983" ;
skos:prefLabel "Dihydrofurans"@en .
csc:CHEMONTID_0000756
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000756 ;
skos:definition "Organic polycyclic compounds containing an imidazole ring fused to a thiazole ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Thiazole is a 6-membered ring that contains both sulfur and nitrogen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LAZPBGZRMVRFKY-HNCPQSOCSA-N ;
skos:notation "CHEMONTID:0000756" ;
skos:prefLabel "Imidazothiazoles"@en .
csc:GUCVJGMIXFAOAE-OUBTZVSYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115134 ;
dbo:casNumber "14681-63-1" ;
dbo:formula "Nb" ;
dbo:inchi "InChI=1S/Nb/i1+1" ;
dbo:iupacName "niobium-94"@en ;
dbo:pubchem "115134"^^xsd:int ;
dbo:smiles "[Nb]" ;
dbp:inchikey "InChIKey=GUCVJGMIXFAOAE-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nb94" ;
skos:prefLabel "niobium 94"@nl .
csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9271 ;
dbo:casNumber "297-78-9" ;
dbo:formula "C9H4Cl8O" ;
dbo:inchi "InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H" ;
dbo:iupacName "1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "9271"^^xsd:int ;
dbo:smiles "C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LRWHHSXTGZSMSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:exactMatch wise:CAS_297-78-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "teldn" ;
skos:prefLabel "telodrin"@nl ;
vcs:vmmParameterId "265"^^xsd:int .
csc:PUGBZUWUTZUUCP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86509 ;
dbo:casNumber "516-78-9" , "17105-75-8" ;
dbo:formula "C28H48O" ;
dbo:inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3" ;
dbo:iupacName "17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "86509"^^xsd:int ;
dbo:smiles "CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=PUGBZUWUTZUUCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gergsnl" ;
skos:prefLabel "gamma-ergostenol"@nl .
csc:RRAMGCGOFNQTLD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13192 ;
dbo:casNumber "66368-96-5" , "63525-90-6" , "243121-01-9" , "57350-77-3" , "88357-62-4" , "822-06-0" , "133394-59-9" , "280144-19-6" , "53192-27-1" ;
dbo:formula "C8H12N2O2" ;
dbo:inchi "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" ;
dbo:iupacName "1,6-Diisocyanatohexane"@en ;
dbo:pubchem "13192"^^xsd:int ;
dbo:smiles "C(CCCN=C=O)CCN=C=O" ;
dbp:inchikey "InChIKey=RRAMGCGOFNQTLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yeDiCN" ;
skos:prefLabel "hexamethyleendiisocyanaat"@nl .
csc:NAWDYIZEMPQZHO-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161018 ;
dbo:casNumber "14041-44-2" ;
dbo:formula "Yb" ;
dbo:inchi "InChI=1S/Yb/i1+2" ;
dbo:iupacName "ytterbium-175"@en ;
dbo:pubchem "161018"^^xsd:int ;
dbo:smiles "[Yb]" ;
dbp:inchikey "InChIKey=NAWDYIZEMPQZHO-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Yb175" ;
skos:prefLabel "ytterbium 175"@nl .
csc:DOULWWSSZVEPIN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182167 ;
dbo:casNumber "34123-57-4" ;
dbo:formula "C11H16N2O" ;
dbo:inchi "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" ;
dbo:iupacName "3-methyl-1-(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "182167"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)NC" ;
dbp:inchikey "InChIKey=DOULWWSSZVEPIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14iC3yFy3C1y" ;
skos:prefLabel "1-(4-isopropylfenyl)-3-methylureum"@nl .
csc:IDQHRQQSSQDLTR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19113 ;
dbo:casNumber "3567-62-2" ;
dbo:formula "C8H8Cl2N2O" ;
dbo:inchi "InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)" ;
dbo:iupacName "1-(3,4-Dichlorophenyl)-3-methylurea"@en ;
dbo:pubchem "19113"^^xsd:int ;
dbo:smiles "CNC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=IDQHRQQSSQDLTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "134DClFy3C1y" ;
skos:prefLabel "1-(3,4-dichloorfenyl)-3-methylureum"@nl .
csc:NCMLSPGQECDTSJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
dbo:casNumber "56-36-0" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C4H9.C2H3O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3;" ;
dbo:iupacName "Tributylstannyl acetate"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=NCMLSPGQECDTSJ-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4ySnactt" ;
skos:prefLabel "tributyltinacetaat"@nl .
csc:CNYGFPPAGUCRIC-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2724411 ;
dbo:casNumber "2437-29-8" ;
dbo:formula "C52H54N4O12" ;
dbo:inchi "InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2" ;
dbo:iupacName "[4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid"@en ;
dbo:pubchem "2724411"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O" ;
dbp:inchikey "InChIKey=CNYGFPPAGUCRIC-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malcgoxlt" ;
skos:prefLabel "malachietgroen-oxalaat"@nl .
csc:GXPIUNZCALHVBA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65280 ;
dbo:casNumber "21312-10-7" ;
dbo:formula "C12H13N3O4S" ;
dbo:inchi "InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)" ;
dbo:iupacName "N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide"@en ;
dbo:pubchem "65280"^^xsd:int ;
dbo:smiles "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C" ;
dbp:inchikey "InChIKey=GXPIUNZCALHVBA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actsfmtozl" ;
skos:prefLabel "acetylsulfamethoxazol"@nl .
csc:DQMZLTXERSFNPB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4909 ;
dbo:casNumber "125-33-7" ;
dbo:formula "C12H14N2O2" ;
dbo:inchi "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)" ;
dbo:iupacName "5-ethyl-5-phenyl-1,3-diazinane-4,6-dione"@en ;
dbo:pubchem "4909"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NCNC1=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DQMZLTXERSFNPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002202 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "primdn" ;
skos:prefLabel "primidon"@nl .
csc:CHEMONTID_0000188
skos:narrower csc:YPKBVWZHVTZSPU-UHFFFAOYSA-N , csc:USBWBBAUWVUJLA-UHFFFAOYSA-N , csc:URDNHJIVMYZFRT-UHFFFAOYSA-N , csc:TWXDDNPPQUTEOV-UHFFFAOYSA-N , csc:SGZRQMALQBXAIQ-UHFFFAOYSA-N , csc:MYWUZJCMWCOHBA-VIFPVBQESA-N , csc:KWTSXDURSIMDCE-UHFFFAOYSA-N , csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N , csc:GHGCUYKTGPFCTK-LZOIJMLOSA-N .
csc:UNAHYJYOSSSJHH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29393 ;
dbo:casNumber "19044-88-3" ;
dbo:formula "C12H18N4O6S" ;
dbo:inchi "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" ;
dbo:iupacName "4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide"@en ;
dbo:pubchem "29393"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UNAHYJYOSSSJHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orzln" ;
skos:prefLabel "oryzalin"@nl .
csc:CHEMONTID_0001819
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001819 ;
skos:definition "Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001819" ;
skos:prefLabel "Isoindoles and derivatives"@en .
csc:CHEMONTID_0004789
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004789 ;
skos:definition "Aromatic heterocyclic compounds containing a benzene ring fused to a diazine ring. The diazine ring is an analogue of benzene, where two carbon atoms are replaced by nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004789" ;
skos:prefLabel "Benzodiazines"@en .
csc:YWFWDNVOPHGWMX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8168 ;
dbo:casNumber "83855-86-1" , "52622-54-5" , "68391-04-8" , "112-18-5" , "68390-97-6" ;
dbo:formula "C14H31N" ;
dbo:inchi "InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3" ;
dbo:iupacName "N,N-dimethyldodecan-1-amine"@en ;
dbo:pubchem "8168"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN(C)C" ;
dbp:inchikey "InChIKey=YWFWDNVOPHGWMX-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethyl-1-dodecaanamine"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1y1C12aA" ;
skos:prefLabel "N,N-dimethyl-1-dodecaanamine"@nl .
csc:FCMVPUGRXPEIQX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98482 ;
dbo:casNumber "5202-36-8" , "2440-02-0" ;
dbo:formula "C7H3Cl7" ;
dbo:inchi "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2" ;
dbo:iupacName "1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "98482"^^xsd:int ;
dbo:smiles "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FCMVPUGRXPEIQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234577HpClb" ;
skos:prefLabel "1,2,3,4,5,7,7-heptachloor-bicyclo(2.2.1)-2-hepteen"@nl .
csc:AFABGHUZZDYHJO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7892 ;
dbo:casNumber "73513-42-5" , "107-83-5" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" ;
dbo:iupacName "2-Methylpentane"@en ;
dbo:pubchem "7892"^^xsd:int ;
dbo:smiles "CCCC(C)C" ;
dbp:inchikey "InChIKey=AFABGHUZZDYHJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC5a" ;
skos:prefLabel "2-methylpentaan"@nl .
csc:ORLOBEXOFQEWFQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104820 ;
dbo:casNumber "39895-81-3" ;
dbo:formula "C5H14AsO+" ;
dbo:inchi "InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" ;
dbo:iupacName "2-hydroxyethyl-trimethylarsanium"@en ;
dbo:pubchem "104820"^^xsd:int ;
dbo:smiles "C[As+](C)(C)CCO" ;
dbp:inchikey "InChIKey=ORLOBEXOFQEWFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004280 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "arsenocholine"@nl .
csc:LAAVYEUJEMRIGF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7869 ;
dbo:casNumber "107-40-4" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" ;
dbo:iupacName "2,4,4-Trimethylpent-2-ene"@en ;
dbo:pubchem "7869"^^xsd:int ;
dbo:smiles "CC(=CC(C)(C)C)C" ;
dbp:inchikey "InChIKey=LAAVYEUJEMRIGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1y2C5e" ;
skos:prefLabel "2,4,4-trimethyl-2-penteen"@nl .
csc:CNCOEDDPFOAUMB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13543 ;
dbo:casNumber "90456-67-0" , "194091-52-6" , "924-42-5" , "176598-18-8" , "160278-55-7" ;
dbo:formula "C4H7NO2" ;
dbo:inchi "InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)" ;
dbo:iupacName "N-(hydroxymethyl)prop-2-enamide"@en ;
dbo:pubchem "13543"^^xsd:int ;
dbo:smiles "C=CC(=O)NCO" ;
dbp:inchikey "InChIKey=CNCOEDDPFOAUMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004450 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1olacAd" ;
skos:prefLabel "methanolacrylamide"@nl .
csc:FDQQNNZKEJIHMS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10696 ;
dbo:casNumber "527-54-8" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3" ;
dbo:iupacName "3,4,5-Trimethylphenol"@en ;
dbo:pubchem "10696"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)O" ;
dbp:inchikey "InChIKey=FDQQNNZKEJIHMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TC1yFol" ;
skos:prefLabel "3,4,5-trimethylfenol"@nl .
csc:JVZREVRTMWNFME-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80210 ;
dbo:casNumber "80856-39-9" , "375-85-9" , "6130-43-4" ;
dbo:formula "C7H4F13NO2" ;
dbo:inchi "InChI=1S/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3" ;
dbo:iupacName "azane; 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid"@en ;
dbo:pubchem "80210"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N" ;
dbp:inchikey "InChIKey=JVZREVRTMWNFME-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-heptaanzuur"@nl , "perfluorheptaanzuur"@nl , "perfluorheptaanzuur (pfhpa)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHpA" ;
skos:prefLabel "perfluor-n-heptaanzuur (pfhpa)"@nl .
csc:NWLUZGJDEZBBRH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19920 ;
dbo:casNumber "126753-03-5" , "4016-14-2" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2-(propan-2-yloxymethyl)oxirane"@en ;
dbo:pubchem "19920"^^xsd:int ;
dbo:smiles "CC(C)OCC1CO1" ;
dbp:inchikey "InChIKey=NWLUZGJDEZBBRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yDgcdE" ;
skos:prefLabel "iso-propylglycidylether"@nl .
csc:BXWNKGSJHAJOGX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2682 ;
dbo:casNumber "55069-45-9" , "36653-82-4" , "8014-51-5" , "8032-89-1" , "124-29-8" , "8023-37-8" , "8032-16-4" , "36311-34-9" , "8032-17-5" ;
dbo:formula "C16H34O" ;
dbo:inchi "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" ;
dbo:iupacName "Hexadecan-1-ol"@en ;
dbo:pubchem "2682"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCO" ;
dbp:inchikey "InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16ol" ;
skos:prefLabel "1-hexadecanol"@nl .
csc:JRBJSXQPQWSCCF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8411 ;
dbo:casNumber "119-90-4" , "59777-10-5" ;
dbo:formula "C14H16N2O2" ;
dbo:inchi "InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3" ;
dbo:iupacName "4-(4-amino-3-methoxyphenyl)-2-methoxyaniline"@en ;
dbo:pubchem "8411"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N" ;
dbp:inchikey "InChIKey=JRBJSXQPQWSCCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1oxbzdne" ;
skos:prefLabel "3,3'-dimethoxybenzidine"@nl .
csc:NFCRBQADEGXVDL-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22324 ;
dbo:casNumber "6004-24-6" ;
dbo:formula "C21H40ClNO" ;
dbo:inchi "InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1" ;
dbo:iupacName "1-hexadecylpyridin-1-ium chloride hydrate"@en ;
dbo:pubchem "22324"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]" ;
dbp:inchikey "InChIKey=NFCRBQADEGXVDL-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16yprdnClH" ;
skos:prefLabel "1-hexadecylpyridinium chloride monohydraat"@nl .
csc:CHEMONTID_0003626
skos:narrower csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N , csc:SUPCQIBBMFXVTL-UHFFFAOYSA-N , csc:SOGAXMICEFXMKE-UHFFFAOYSA-N , csc:GNSFRPWPOGYVLO-UHFFFAOYSA-N .
csc:NWBJYWHLCVSVIJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62389 ;
dbo:casNumber "3458-19-3" , "1214-39-7" , "124786-41-0" ;
dbo:formula "C12H11N5" ;
dbo:inchi "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" ;
dbo:iupacName "N-(phenylmethyl)-7H-purin-6-amine"@en ;
dbo:pubchem "62389"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" ;
dbp:inchikey "InChIKey=NWBJYWHLCVSVIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003454 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzadnne" ;
skos:prefLabel "benzyladenine"@nl .
csc:FWCBATIDXGJRMF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72085 ;
dbo:casNumber "28300-95-0" , "49813-52-7" , "131400-21-0" , "136881-53-3" , "64040-42-2" , "59795-40-3" , "129607-69-8" , "3768-13-6" , "27708-72-1" , "36058-05-6" , "26996-98-5" , "18467-77-1" , "72349-14-5" ;
dbo:formula "C12H18O7" ;
dbo:inchi "InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)" ;
dbo:iupacName "4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid"@en ;
dbo:pubchem "72085"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C" ;
dbp:inchikey "InChIKey=FWCBATIDXGJRMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dikglc" ;
skos:prefLabel "dikegulac"@nl .
csc:ZNPSUQQXTRRSBM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26975 ;
dbo:casNumber "65916-15-6" , "14938-35-3" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3" ;
dbo:iupacName "4-PENTYLPHENOL"@en ;
dbo:pubchem "26975"^^xsd:int ;
dbo:smiles "CCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=ZNPSUQQXTRRSBM-UHFFFAOYSA-N" ;
skos:altLabel "4-n-pentylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C5yFt" ;
skos:prefLabel "4-pentylfenol"@nl .
csc:HYWZIAVPBSTISZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67636 ;
dbo:casNumber "335-77-3" ;
dbo:formula "C10HF21O3S" ;
dbo:inchi "InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid"@en ;
dbo:pubchem "67636"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=HYWZIAVPBSTISZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluordecaansulfonzuur (pfds)"@nl , "perfluor-n-decaansulfonzuur (pfds)"@nl , "perfluor-1-decaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFDS" ;
skos:prefLabel "perfluor-n-decaansulfonzuur"@nl .
csc:CHEMONTID_0002542
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002542 ;
skos:definition "Aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PZBPKYOVPCNPJY-UHFFFAOYSA-N , csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N , csc:RXXCIBALSKQCAE-UHFFFAOYSA-N , csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N , csc:MCCACAIVAXEFAL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002542" ;
skos:prefLabel "Benzylethers"@en .
csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91693 ;
dbo:casNumber "87501-25-5" , "66246-88-6" ;
dbo:formula "C13H15Cl2N3" ;
dbo:inchi "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole"@en ;
dbo:pubchem "91693"^^xsd:int ;
dbo:smiles "CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=WKBPZYKAUNRMKP-UHFFFAOYSA-N" ;
skos:altLabel "penconazool"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_66246-88-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pencnzl" ;
skos:prefLabel "penconazole"@nl ;
vcs:vmmParameterId "1031"^^xsd:int .
csc:TVFJAZCVMOXQRK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:162097 ;
dbo:casNumber "51000-52-3" , "17756-73-9" ;
dbo:formula "C12H22O2" ;
dbo:inchi "InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3" ;
dbo:iupacName "ethenyl 7,7-dimethyloctanoate"@en ;
dbo:pubchem "162097"^^xsd:int ;
dbo:smiles "CC(C)(C)CCCCCC(=O)OC=C" ;
dbp:inchikey "InChIKey=TVFJAZCVMOXQRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "neoC10azetnE" ;
skos:prefLabel "neodecaanzuur ethenylester"@nl .
csc:RCFAHSGZAAFQJH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:102877 ;
dbo:casNumber "2769-94-0" , "25640-70-4" ;
dbo:formula "C22H22O" ;
dbo:inchi "InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3" ;
dbo:iupacName "2,4-Bis(1-phenylethyl)phenol"@en ;
dbo:pubchem "102877"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=RCFAHSGZAAFQJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24bis1FyC2yF" ;
skos:prefLabel "2,4-bis(1-fenylethyl)fenol"@nl .
csc:CKDDRHZIAZRDBW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16898 ;
dbo:casNumber "2363-71-5" ;
dbo:formula "C21H42O2" ;
dbo:inchi "InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)" ;
dbo:iupacName "Henicosanoic acid"@en ;
dbo:pubchem "16898"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=CKDDRHZIAZRDBW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C21azr" ;
skos:prefLabel "heneicosaanzuur"@nl .
csc:CHEMONTID_0003058
skos:narrower csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N .
csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7594 ;
dbo:casNumber "39291-21-9" , "55556-10-0" , "102-06-7" , "25323-69-7" , "33505-70-3" ;
dbo:formula "C13H13N3" ;
dbo:inchi "InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)" ;
dbo:iupacName "1,2-di(phenyl)guanidine"@en ;
dbo:pubchem "7594"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N" ;
dbp:inchikey "InChIKey=OWRCNXZUPFZXOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DFygandne" ;
skos:prefLabel "1,3-difenylguanidine"@nl .
csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6478 ;
dbo:casNumber "77-47-4" ;
dbo:formula "C5Cl6" ;
dbo:inchi "InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8" ;
dbo:iupacName "1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene"@en ;
dbo:pubchem "6478"^^xsd:int ;
dbo:smiles "C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VUNCWTMEJYMOOR-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorcyclopentadieen (hccpd)"@nl , "hexachloorcyclopentadieen (HCCPD)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_77-47-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCCPD" ;
skos:prefLabel "hexachloorcyclopentadieen"@nl ;
vcs:vmmParameterId "380"^^xsd:int .
csc:XNYGOEGATLFFOX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31341 ;
dbo:casNumber "126-15-8" ;
dbo:formula "C13H16O2" ;
dbo:inchi "InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2" ;
dbo:iupacName "4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde"@en ;
dbo:pubchem "31341"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C3CC=CCC3(O2)C=O" ;
dbp:inchikey "InChIKey=XNYGOEGATLFFOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisC4yeT4HfA" ;
skos:prefLabel "bis(butyleen)tetrahydrofuraldehyde"@nl .
csc:GGNLTHFTYNDYNK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16773 ;
dbo:casNumber "2275-14-1" ;
dbo:formula "C11H15Cl2O2PS3" ;
dbo:inchi "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3" ;
dbo:iupacName "(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "16773"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=GGNLTHFTYNDYNK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "febktn" ;
skos:prefLabel "fenkapton"@nl .
csc:CHEMONTID_0001373
skos:narrower csc:LXOFYPKXCSULTL-UHFFFAOYSA-N , csc:CEBKHWWANWSNTI-UHFFFAOYSA-N .
csc:WFDXOXNFNRHQEC-GHRIWEEISA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034285 ;
dbo:casNumber "215934-32-0" , "131860-33-8" ;
dbo:formula "C22H17N3O5" ;
dbo:inchi "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" ;
dbo:iupacName "methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate"@en ;
dbo:pubchem "3034285"^^xsd:int ;
dbo:smiles "COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC" ;
dbp:inchikey "InChIKey=WFDXOXNFNRHQEC-GHRIWEEISA-N" ;
skos:broader csc:CHEMONTID_0004203 ;
skos:exactMatch wise:CAS_131860-33-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azoxsbn" ;
skos:prefLabel "azoxystrobin"@nl ;
vcs:vmmParameterId "974"^^xsd:int .
csc:RZVHIXYEVGDQDX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6780 ;
dbo:casNumber "790240-52-7" , "84-65-1" ;
dbo:formula "C14H8O2" ;
dbo:inchi "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H" ;
dbo:iupacName "anthracene-9,10-dione"@en ;
dbo:pubchem "6780"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O" ;
dbp:inchikey "InChIKey=RZVHIXYEVGDQDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "antcnn" ;
skos:prefLabel "antrachinon"@nl .
csc:VNENJHUOPQAPAT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108227 ;
dbo:casNumber "948-71-0" ;
dbo:formula "C10H7N3OS" ;
dbo:inchi "InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)" ;
dbo:iupacName "2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol"@en ;
dbo:pubchem "108227"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3" ;
dbp:inchikey "InChIKey=VNENJHUOPQAPAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5HOxtabdzle" ;
skos:prefLabel "5-hydroxythiabendazole"@nl .
csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:441341 ;
dbo:casNumber "102767-28-2" ;
dbo:formula "C8H14N2O2" ;
dbo:inchi "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1" ;
dbo:iupacName "(2R)-2-(2-oxopyrrolidin-1-yl)butanamide"@en ;
dbo:pubchem "441341"^^xsd:int ;
dbo:smiles "CCC(C(=O)N)N1CCCC1=O" ;
dbp:inchikey "InChIKey=HPHUVLMMVZITSG-ZCFIWIBFSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levtrctm" ;
skos:prefLabel "levetiracetam"@nl .
csc:OSCXYTRISGREIM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:80076 ;
dbo:casNumber "5976-47-6" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2" ;
dbo:iupacName "2-chloroprop-2-en-1-ol"@en ;
dbo:pubchem "80076"^^xsd:int ;
dbo:smiles "C=C(CO)Cl" ;
dbp:inchikey "InChIKey=OSCXYTRISGREIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl2C3eol" ;
skos:prefLabel "2-chloor-2-propeen-ol"@nl .
csc:ZLCUIOWQYBYEBG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6702 ;
dbo:casNumber "82-28-0" ;
dbo:formula "C15H11NO2" ;
dbo:inchi "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3" ;
dbo:iupacName "1-amino-2-methylanthracene-9,10-dione"@en ;
dbo:pubchem "6702"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N" ;
dbp:inchikey "InChIKey=ZLCUIOWQYBYEBG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Ao2C1yatqnn" ;
skos:prefLabel "1-amino-2-methylanthraquinon"@nl .
csc:QZHDEAJFRJCDMF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67734 ;
dbo:casNumber "355-46-4" ;
dbo:formula "C6HF13O3S" ;
dbo:inchi "InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid"@en ;
dbo:pubchem "67734"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=QZHDEAJFRJCDMF-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-hexaansulfonzuur (pfhxs)"@nl , "perfluor-n-hexaansulfonzuur"@nl , "perfluorhexaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFHxS" ;
skos:prefLabel "perfluorhexaansulfonzuur (pfhxs)"@nl .
csc:CHEMONTID_0001920
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001920 ;
skos:definition "Compounds containing a triazine ring which bears a ketone group a carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YRIZYWQGELRKNT-UHFFFAOYSA-N , csc:NZUPFZNVGSWLQC-UHFFFAOYSA-N , csc:KOMNUTZXSVSERR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001920" ;
skos:prefLabel "Triazinones"@en .
csc:MLUCVPSAIODCQM-NSCUHMNNSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:447466 ;
dbo:casNumber "15798-64-8" , "123-73-9" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" ;
dbo:iupacName "(E)-but-2-enal"@en ;
dbo:pubchem "447466"^^xsd:int ;
dbo:smiles "CC=CC=O" ;
dbp:inchikey "InChIKey=MLUCVPSAIODCQM-NSCUHMNNSA-N" ;
skos:altLabel "trans-2-butenal"@nl ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c2C4eal" , "crotAh" ;
skos:prefLabel "cis-2-butenal"@nl .
csc:CHEMONTID_0002436
skos:narrower csc:STNJBCKSHOAVAJ-UHFFFAOYSA-N , csc:MLUCVPSAIODCQM-NSCUHMNNSA-N , csc:MLUCVPSAIODCQM-IHWYPQMZSA-N , csc:HGINCPLSRVDWNT-UHFFFAOYSA-N .
csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25550 ;
dbo:casNumber "12407-86-2" , "2655-15-4" , "58784-13-7" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(2,3,5-trimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "25550"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)OC(=O)NC)C)C" ;
dbp:inchikey "InChIKey=NYOKZHDTNBDPOB-UHFFFAOYSA-N" ;
skos:altLabel "2,3,5-trimethacarb"@nl ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235Tmtcb" , "landn" ;
skos:prefLabel "landrin"@nl .
csc:CHEMONTID_0001209
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001209 ;
skos:definition "Organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UMGDCJDMYOKAJW-UHFFFAOYSA-N , csc:JIRRNZWTWJGJCT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001209" ;
skos:prefLabel "Thioureas"@en .
csc:CHEMONTID_0000210
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000210 ;
skos:definition "Compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UJOBWOGCFQCDNV-UHFFFAOYSA-N , csc:STJXCDGCXVZHDU-UHFFFAOYSA-N , csc:GNPUIRFDBYALRI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000210" ;
skos:prefLabel "Carbazoles"@en .
csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25135 ;
dbo:casNumber "31012-04-1" , "10294-34-5" , "37226-51-0" ;
dbo:formula "BCl3" ;
dbo:inchi "InChI=1S/BCl3/c2-1(3)4" ;
dbo:iupacName "Trichloroborane"@en ;
dbo:pubchem "25135"^^xsd:int ;
dbo:smiles "B(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=FAQYAMRNWDIXMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000583 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BTCl" ;
skos:prefLabel "boortrichloride"@nl .
csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5975 ;
dbo:casNumber "57-12-5" , "373-51-3" ;
dbo:formula "CN-" ;
dbo:inchi "InChI=1S/CN/c1-2/q-1" ;
dbo:iupacName "Cyanide"@en ;
dbo:pubchem "5975"^^xsd:int ;
dbo:smiles "[C-]#N" ;
dbp:inchikey "InChIKey=XFXPMWWXUTWYJX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_I_C.2.3 , co:WAC_III_C_030 , co:WAC_III_D_036 , co:CMA_2_I_C.2.1 , co:CMA_2_I_C.2.2 ;
skos:broader csc:CHEMONTID_0000553 ;
skos:exactMatch wise:CAS_57-12-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CN" ;
skos:prefLabel "cyanide"@nl ;
vcs:vmmParameterId "487"^^xsd:int , "26"^^xsd:int , "527"^^xsd:int , "488"^^xsd:int , "1195"^^xsd:int , "905"^^xsd:int .
csc:XERJKGMBORTKEO-VZUCSPMQSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5364079 ;
dbo:casNumber "93195-85-8" , "57966-95-7" ;
dbo:formula "C7H10N4O3" ;
dbo:inchi "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" ;
dbo:iupacName "2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide"@en ;
dbo:pubchem "5364079"^^xsd:int ;
dbo:smiles "CCNC(=O)NC(=O)C(=NOC)C#N" ;
dbp:inchikey "InChIKey=XERJKGMBORTKEO-VZUCSPMQSA-N" ;
skos:broader csc:CHEMONTID_0001010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cymOanl" ;
skos:prefLabel "cymoxanil"@nl .
csc:DAASOABUJRMZAD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15583 ;
dbo:casNumber "1715-40-8" ;
dbo:formula "C8H5BrCl6" ;
dbo:inchi "InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2" ;
dbo:iupacName "6-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "15583"^^xsd:int ;
dbo:smiles "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CBr" ;
dbp:inchikey "InChIKey=DAASOABUJRMZAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brccn" ;
skos:prefLabel "bromocyclen"@nl .
csc:GBIHOLCMZGAKNG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50980 ;
dbo:casNumber "70124-77-5" , "71611-31-9" ;
dbo:formula "C26H23F2NO4" ;
dbo:inchi "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate"@en ;
dbo:pubchem "50980"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=GBIHOLCMZGAKNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluctnt" ;
skos:prefLabel "flucythrinaat"@nl .
csc:JIAARYAFYJHUJI-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5727 ;
dbo:casNumber "53917-99-0" , "7646-85-7" ;
dbo:formula "Cl2Zn" ;
dbo:inchi "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2" ;
dbo:iupacName "['Zinc dichloride', 'dichlorozinc']"@en ;
dbo:pubchem "5727"^^xsd:int ;
dbo:smiles "Cl[Zn]Cl" ;
dbp:inchikey "InChIKey=JIAARYAFYJHUJI-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ZnCl" ;
skos:prefLabel "zinkchloride"@nl .
csc:IVJISJACKSSFGE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93374 ;
dbo:casNumber "59588-07-7" , "68002-21-1" , "68955-24-8" , "68002-24-4" , "68037-27-4" , "68002-20-0" , "68036-97-5" , "68511-75-1" , "59588-08-8" , "68511-73-9" , "68002-25-5" ;
dbo:formula "C4H8N6O" ;
dbo:inchi "InChI=1S/C3H6N6.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);1H2" ;
dbo:iupacName "formaldehyde; 1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "93374"^^xsd:int ;
dbo:smiles "C=O.C1(=NC(=NC(=N1)N)N)N" ;
dbp:inchikey "InChIKey=IVJISJACKSSFGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001831 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melmnplmmfAh" ;
skos:prefLabel "melamine, polymeer met formaldehyde en methanol"@nl .
csc:YBGZDTIWKVFICR-JLHYYAGUSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355130 ;
dbo:casNumber "155867-04-2" , "5466-77-3" ;
dbo:formula "C18H26O3" ;
dbo:inchi "InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+" ;
dbo:iupacName "['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate']"@en ;
dbo:pubchem "5355130"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=YBGZDTIWKVFICR-JLHYYAGUSA-N" ;
skos:altLabel "2-ethylhexyl-4-methoxycinnamaat"@nl ;
skos:broader csc:CHEMONTID_0003480 ;
skos:exactMatch wise:CAS_5466-77-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6y4C1ox" ;
skos:prefLabel "octinoxaat"@nl ;
vcs:vmmParameterId "1515"^^xsd:int .
csc:PLGQWYOULXPJRE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17683 ;
dbo:casNumber "2753-45-9" , "3625-06-7" ;
dbo:formula "C25H36ClNO5" ;
dbo:inchi "InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H" ;
dbo:iupacName "['4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate; hydron; chloride', '4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride']"@en ;
dbo:pubchem "17683"^^xsd:int ;
dbo:smiles "CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl" ;
dbp:inchikey "InChIKey=PLGQWYOULXPJRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebvrnHCL" ;
skos:prefLabel "mebeverine hydrochloride"@nl .
csc:ZPEIMTDSQAKGNT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2726 ;
dbo:casNumber "34468-21-8" , "50-53-3" ;
dbo:formula "C17H19ClN2S" ;
dbo:inchi "InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3" ;
dbo:iupacName "3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "2726"^^xsd:int ;
dbo:smiles "CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=ZPEIMTDSQAKGNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpmzne" ;
skos:prefLabel "chloorpromazine"@nl .
csc:LRTFPLFDLJYEKT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7464 ;
dbo:casNumber "99-88-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3" ;
dbo:iupacName "4-propan-2-ylaniline"@en ;
dbo:pubchem "7464"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=LRTFPLFDLJYEKT-UHFFFAOYSA-N" ;
skos:altLabel "4-isopropylaniline (Cumidine)"@nl ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4iC3yAn" ;
skos:prefLabel "4-isopropylaniline (cumidine)"@nl .
csc:CHEMONTID_0003095
skos:narrower csc:ZESRJSPZRDMNHY-YFWFAHHUSA-N , csc:MFYSYFVPBJMHGN-ZPOLXVRWSA-N , csc:JYGXADMDTFJGBT-VWUMJDOOSA-N , csc:YNDXUCZADRHECN-JNQJZLCISA-N , csc:GFNANZIMVAIWHM-OBYCQNJPSA-N , csc:VOVIALXJUBGFJZ-VXKMTNQYSA-N , csc:VHRSUDSXCMQTMA-PJHHCJLFSA-N , csc:VWVSBHGCDBMOOT-OKPPOTDYSA-N , csc:UREBDLICKHMUKA-DVTGEIKXSA-N , csc:OIGNJSKKLXVSLS-VWUMJDOOSA-N , csc:XOFYZVNMUHMLCC-ZPOLXVRWSA-N , csc:UREBDLICKHMUKA-CXSFZGCWSA-N , csc:IJLXLZGJDSJGIQ-BILPMHSYSA-N , csc:MKPDWECBUAZOHP-AFYJWTTESA-N , csc:XSFJVAJPIHIPKU-XWCQMRHXSA-N , csc:PQSUYGKTWSAVDQ-ZVIOFETBSA-N .
csc:SATCULPHIDQDRE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8438 ;
dbo:casNumber "30024-74-9" , "120-57-0" ;
dbo:formula "C8H6O3" ;
dbo:inchi "InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2" ;
dbo:iupacName "1,3-benzodioxole-5-carbaldehyde"@en ;
dbo:pubchem "8438"^^xsd:int ;
dbo:smiles "C1OC2=C(O1)C=C(C=C2)C=O" ;
dbp:inchikey "InChIKey=SATCULPHIDQDRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piprnl" ;
skos:prefLabel "piperonal"@nl .
csc:DNZXWDUPPLHSQL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33793 ;
dbo:casNumber "27360-58-3" ;
dbo:formula "C12H10HgO2" ;
dbo:inchi "InChI=1S/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;" ;
dbo:iupacName "(2,4-dihydroxyphenyl)-phenylmercury"@en ;
dbo:pubchem "33793"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Hg]C2=C(C=C(C=C2)O)O" ;
dbp:inchikey "InChIKey=DNZXWDUPPLHSQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oFyHgOxFol" ;
skos:prefLabel "o-(fenylkwikoxy)fenol"@nl .
csc:CHEMONTID_0002500
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002500 ;
skos:definition "Acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IGGUPRCHHJZPBS-UHFFFAOYSA-N , csc:OTMSDBZUPAUEDD-UHFFFAOYSA-N , csc:RSJKGSCJYJTIGS-UHFFFAOYSA-N , csc:LQERIDTXQFOHKA-UHFFFAOYSA-N , csc:VLKZOEOYAKHREP-UHFFFAOYSA-N , csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N , csc:SNRUBQQJIBEYMU-UHFFFAOYSA-N , csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N , csc:QHMGJGNTMQDRQA-UHFFFAOYSA-N , csc:YKNWIILGEFFOPE-UHFFFAOYSA-N , csc:VNWKTOKETHGBQD-UHFFFAOYSA-N , csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N , csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N , csc:HMSWAIKSFDFLKN-UHFFFAOYSA-N , csc:SUJUOAZFECLBOA-UHFFFAOYSA-N , csc:POOSGDOYLQNASK-UHFFFAOYSA-N , csc:JXTPJDDICSTXJX-UHFFFAOYSA-N , csc:IJDNQMDRQITEOD-UHFFFAOYSA-N , csc:VNWKTOKETHGBQD-OUBTZVSYSA-N , csc:VNWKTOKETHGBQD-NJFSPNSNSA-N , csc:FIGVVZUWCLSUEI-UHFFFAOYSA-N , csc:FNAZRRHPUDJQCJ-UHFFFAOYSA-N , csc:TVMXDCGIABBOFY-UHFFFAOYSA-N , csc:ZYURHZPYMFLWSH-UHFFFAOYSA-N , csc:CBFCDTFDPHXCNY-UHFFFAOYSA-N , csc:RZJRJXONCZWCBN-UHFFFAOYSA-N , csc:DCAYPVUWAIABOU-UHFFFAOYSA-N , csc:KUPLEGDPSCCPJI-UHFFFAOYSA-N , csc:KMXFZRSJMDYPPG-UHFFFAOYSA-N , csc:VHQQPFLOGSTQPC-UHFFFAOYSA-N , csc:BKIMMITUMNQMOS-UHFFFAOYSA-N , csc:NDJKXXJCMXVBJW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002500" ;
skos:prefLabel "Alkanes"@en .
csc:CHEMONTID_0002494
skos:narrower csc:UGNWTBMOAKPKBL-UHFFFAOYSA-N , csc:PXSOHRWMIRDKMP-UHFFFAOYSA-N , csc:AZQWKYJCGOJGHM-UHFFFAOYSA-N .
csc:SNIOPGDIGTZGOP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4510 ;
dbo:casNumber "80066-48-4" , "55-63-0" , "105469-31-6" , "8013-23-8" , "9010-02-0" ;
dbo:formula "C3H5N3O9" ;
dbo:inchi "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" ;
dbo:iupacName "1,3-dinitrooxypropan-2-yl nitrate"@en ;
dbo:pubchem "4510"^^xsd:int ;
dbo:smiles "C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SNIOPGDIGTZGOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2gcrne" ;
skos:prefLabel "nitroglycerine"@nl .
csc:HAPOJKSPCGLOOD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9201 ;
dbo:casNumber "243-17-4" , "30777-19-6" ;
dbo:formula "C17H12" ;
dbo:inchi "InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2" ;
dbo:iupacName "11H-Benzo[b]fluorene"@en ;
dbo:pubchem "9201"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31" ;
dbp:inchikey "InChIKey=HAPOJKSPCGLOOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BbFle" ;
skos:prefLabel "benzo(b)fluoreen"@nl .
csc:CHEMONTID_0001893
skos:narrower csc:NBQCNZYJJMBDKY-UHFFFAOYSA-N , csc:GHASVSINZRGABV-UHFFFAOYSA-N , csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N .
csc:GDIIPKWHAQGCJF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8390 ;
dbo:casNumber "119-32-4" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methyl-3-nitroaniline"@en ;
dbo:pubchem "8390"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=GDIIPKWHAQGCJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y3NO2An" ;
skos:prefLabel "4-methyl-3-nitroaniline"@nl .
csc:DDTBPAQBQHZRDW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9268 ;
dbo:casNumber "294-62-2" , "46133-53-3" ;
dbo:formula "C12H24" ;
dbo:inchi "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" ;
dbo:iupacName "CYCLODODECANE"@en ;
dbo:pubchem "9268"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCC1" ;
dbp:inchikey "InChIKey=DDTBPAQBQHZRDW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC12a" ;
skos:prefLabel "cyclododecaan"@nl .
csc:JUZXDNPBRPUIOR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13837 ;
dbo:casNumber "7003-89-6" ;
dbo:formula "C5H13ClN+" ;
dbo:inchi "InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1" ;
dbo:iupacName "2-chloroethyl-trimethylazanium"@en ;
dbo:pubchem "13837"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CCCl" ;
dbp:inchikey "InChIKey=JUZXDNPBRPUIOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clmqat" ;
skos:prefLabel "chloormequat"@nl .
csc:RLPCJGKQKFMBEI-UOBLTHIJSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:72492 ;
dbo:casNumber "7060-74-4" ;
dbo:formula "C35H64NO16P" ;
dbo:inchi "InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;/m0./s1" ;
dbo:iupacName "(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione; phosphoric acid"@en ;
dbo:pubchem "72492"^^xsd:int ;
dbo:smiles "CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C.OP(=O)(O)O" ;
dbp:inchikey "InChIKey=RLPCJGKQKFMBEI-UOBLTHIJSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oladmcnPO4" ;
skos:prefLabel "oleandomycinefosfaat"@nl .
csc:CHEMONTID_0001814
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001814 ;
skos:definition "Compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PEGCITODQASXKH-UHFFFAOYSA-N , csc:VYNGFCUGSYEOOZ-UHFFFAOYSA-N , csc:RIOQSEWOXXDEQQ-UHFFFAOYSA-N , csc:FIQMHBFVRAXMOP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001814" ;
skos:prefLabel "Phenylphosphines and derivatives"@en .
csc:ZWRUINPWMLAQRD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8914 ;
dbo:casNumber "143-08-8" , "28473-21-4" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" ;
dbo:iupacName "Nonan-1-ol"@en ;
dbo:pubchem "8914"^^xsd:int ;
dbo:smiles "CCCCCCCCCO" ;
dbp:inchikey "InChIKey=ZWRUINPWMLAQRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C9ol" ;
skos:prefLabel "1-nonanol"@nl .
csc:BKVIYDNLLOSFOA-OIOBTWANSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5461982 ;
dbo:casNumber "15064-65-0" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1-3" ;
dbo:iupacName "thallium-201"@en ;
dbo:pubchem "5461982"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "InChIKey=BKVIYDNLLOSFOA-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl201" ;
skos:prefLabel "thallium 201"@nl .
csc:ONMOULMPIIOVTQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7387 ;
dbo:casNumber "98-47-5" ;
dbo:formula "C6H5NO5S" ;
dbo:inchi "InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)" ;
dbo:iupacName "3-NITROBENZENESULFONIC ACID"@en ;
dbo:pubchem "7387"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ONMOULMPIIOVTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Bensfzr" ;
skos:prefLabel "3-nitrobenzeensulfonzuur"@nl .
csc:CHEMONTID_0000098
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000098 ;
skos:definition "Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000098" ;
skos:prefLabel "Triazines"@en .
csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7150 ;
dbo:casNumber "93-58-3" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "Methyl benzoate"@en ;
dbo:pubchem "7150"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=QPJVMBTYPHYUOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "methylbenzoaat"@nl .
csc:NFACJZMKEDPNKN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5853 ;
dbo:casNumber "66758-31-4" , "37333-09-8" , "50924-44-2" , "52-68-6" , "56042-25-2" ;
dbo:formula "C4H8Cl3O4P" ;
dbo:inchi "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" ;
dbo:iupacName "['hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium', '2,2,2-trichloro-1-dimethoxyphosphorylethanol']"@en ;
dbo:pubchem "5853"^^xsd:int ;
dbo:smiles "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" ;
dbp:inchikey "InChIKey=NFACJZMKEDPNKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:exactMatch wise:CAS_52-68-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClfn" ;
skos:prefLabel "trichloorfon"@nl ;
vcs:vmmParameterId "407"^^xsd:int .
csc:CHEMONTID_0001729
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001729 ;
skos:definition "Compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VYKLRWGPNUVKNC-AATRIKPKSA-N ;
skos:notation "CHEMONTID:0001729" ;
skos:prefLabel "Oxepanes"@en .
csc:OJGMBLNIHDZDGS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7670 ;
dbo:casNumber "103-69-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3" ;
dbo:iupacName "N-Ethylaniline"@en ;
dbo:pubchem "7670"^^xsd:int ;
dbo:smiles "CCNC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=OJGMBLNIHDZDGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yAn" ;
skos:prefLabel "ethylaniline"@nl .
csc:CHEMONTID_0004705
skos:narrower csc:ZTYVMAQSHCZXLF-UHFFFAOYSA-N , csc:RBSXHDIPCIWOMG-UHFFFAOYSA-N , csc:NSWAMPCUPHPTTC-UHFFFAOYSA-N , csc:NIFKBBMCXCMCAO-UHFFFAOYSA-N , csc:MAHPNPYYQAIOJN-UHFFFAOYSA-N , csc:IOXAXYHXMLCCJJ-UHFFFAOYSA-N , csc:HICJAEZEEBOKGV-UHFFFAOYSA-N .
csc:GEPDYQSQVLXLEU-AATRIKPKSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355863 ;
dbo:casNumber "243464-31-5" , "26718-65-0" , "298-01-1" , "7786-34-7" ;
dbo:formula "C7H13O6P" ;
dbo:inchi "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+" ;
dbo:iupacName "['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate']"@en ;
dbo:pubchem "5355863"^^xsd:int ;
dbo:smiles "CC(=CC(=O)OC)OP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=GEPDYQSQVLXLEU-AATRIKPKSA-N" ;
skos:altLabel "cis-mevinfos"@nl ;
skos:broader csc:CHEMONTID_0000324 ;
skos:exactMatch wise:CAS_7786-34-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mevfs" , "cmevfs" ;
skos:prefLabel "mevinfos"@nl ;
vcs:vmmParameterId "392"^^xsd:int .
csc:BAUYGSIQEAFULO-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24393 ;
dbo:casNumber "56172-58-8" , "7720-78-7" , "8063-79-4" , "8060-18-2" , "139939-63-2" , "16547-58-3" ;
dbo:formula "FeO4S" ;
dbo:inchi "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "iron(+2) cation sulfate"@en ;
dbo:pubchem "24393"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Fe+2]" ;
dbp:inchikey "InChIKey=BAUYGSIQEAFULO-UHFFFAOYSA-L" ;
skos:altLabel "ijzer(II)sulfaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeSO4" ;
skos:prefLabel "ijzer(ii)sulfaat"@nl .
csc:JDRFUUBRGGDEIZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16811 ;
dbo:casNumber "136365-67-8" , "2300-66-5" ;
dbo:formula "C10H13Cl2NO3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3" ;
dbo:iupacName "3,6-dichloro-2-methoxybenzoic acid; N-methylmethanamine"@en ;
dbo:pubchem "16811"^^xsd:int ;
dbo:smiles "CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=JDRFUUBRGGDEIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002345 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAeDcba" ;
skos:prefLabel "dimethylamine dicamba"@nl .
csc:CHEMONTID_0000019
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000019 ;
skos:definition "Compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KRMDCWKBEZIMAB-UHFFFAOYSA-N , csc:JJCFRYNCJDLXIK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000019" ;
skos:prefLabel "Dibenzocycloheptenes"@en .
csc:IZUKQUVSCNEFMJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10707 ;
dbo:casNumber "528-29-0" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" ;
dbo:iupacName "1,2-Dinitrobenzene"@en ;
dbo:pubchem "10707"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=IZUKQUVSCNEFMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DNO2Ben" ;
skos:prefLabel "1,2-dinitrobenzeen"@nl .
csc:YGPVLXJHRFZYJJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28458 ;
dbo:casNumber "17302-32-8" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3" ;
dbo:iupacName "3,7-DIMETHYLNONANE"@en ;
dbo:pubchem "28458"^^xsd:int ;
dbo:smiles "CCC(C)CCCC(C)CC" ;
dbp:inchikey "InChIKey=YGPVLXJHRFZYJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "37DC1yC9a" ;
skos:prefLabel "3,7-dimethylnonaan"@nl .
csc:VJFUPGQZSXIULQ-XIGJTORUSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281555 ;
dbo:casNumber "121-29-9" ;
dbo:formula "C22H28O5" ;
dbo:inchi "InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1" ;
dbo:iupacName "[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "5281555"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" ;
dbp:inchikey "InChIKey=VJFUPGQZSXIULQ-XIGJTORUSA-N" ;
skos:altLabel "pyrethrin ii"@nl ;
skos:broader csc:CHEMONTID_0001724 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtnII" ;
skos:prefLabel "pyrethrin II"@nl .
csc:FXHOOIRPVKKKFG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31374 ;
dbo:casNumber "127-19-5" ;
dbo:formula "C4H9NO" ;
dbo:inchi "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" ;
dbo:iupacName "N,N-Dimethylacetamide"@en ;
dbo:pubchem "31374"^^xsd:int ;
dbo:smiles "CC(=O)N(C)C" ;
dbp:inchikey "InChIKey=FXHOOIRPVKKKFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yacAd" ;
skos:prefLabel "dimethylacetamide"@nl .
csc:KRMDCWKBEZIMAB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2160 ;
dbo:casNumber "50-48-6" , "30227-34-0" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3" ;
dbo:iupacName "N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine"@en ;
dbo:pubchem "2160"^^xsd:int ;
dbo:smiles "CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31" ;
dbp:inchikey "InChIKey=KRMDCWKBEZIMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amttlne" ;
skos:prefLabel "amitriptyline"@nl .
csc:NIWWFAAXEMMFMS-AHCXROLUSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105155 ;
dbo:casNumber "15757-87-6" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1-4" ;
dbo:iupacName "curium-243"@en ;
dbo:pubchem "105155"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "InChIKey=NIWWFAAXEMMFMS-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm243" ;
skos:prefLabel "curium 243"@nl .
csc:CHEMONTID_0000162
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000162 ;
skos:definition "Organic compounds containing a four-member lactam (a cyclic amide)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000162" ;
skos:prefLabel "Beta lactams"@en .
csc:YFVOXLJXJBQDEF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:90479 ;
dbo:casNumber "24353-61-5" , "39284-27-0" ;
dbo:formula "C11H16NO4PS" ;
dbo:inchi "InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)" ;
dbo:iupacName "propan-2-yl 2-(amino-methoxyphosphinothioyl)oxybenzoate"@en ;
dbo:pubchem "90479"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC" ;
dbp:inchikey "InChIKey=YFVOXLJXJBQDEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icbfs" ;
skos:prefLabel "isocarbofos"@nl .
csc:YNPFMWCWRVTGKJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:68551 ;
dbo:casNumber "78644-54-9" , "21535-47-7" , "24219-97-4" ;
dbo:formula "C18H21ClN2" ;
dbo:inchi "InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H" ;
dbo:iupacName "5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride"@en ;
dbo:pubchem "68551"^^xsd:int ;
dbo:smiles "CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl" ;
dbp:inchikey "InChIKey=YNPFMWCWRVTGKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "miasrne" ;
skos:prefLabel "mianserine"@nl .
csc:OBSZRRSYVTXPNB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123286 ;
dbo:casNumber "12185-10-3" , "51273-58-6" ;
dbo:formula "P4" ;
dbo:inchi "InChI=1S/P4/c1-2-3(1)4(1)2" ;
dbo:iupacName "1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane"@en ;
dbo:pubchem "123286"^^xsd:int ;
dbo:smiles "P12P3P1P23" ;
dbp:inchikey "InChIKey=OBSZRRSYVTXPNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "P4" ;
skos:prefLabel "tetrafosfor"@nl .
csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7503 ;
dbo:casNumber "27987-13-9" , "25168-05-2" , "100-44-7" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" ;
dbo:iupacName "Chloromethylbenzene"@en ;
dbo:pubchem "7503"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCl" ;
dbp:inchikey "InChIKey=KCXMKQUNVWSEMD-UHFFFAOYSA-N" ;
skos:altLabel "alfa-chloortolueen"@nl , "alfa-chloortolueen (benzylchloride)"@nl , "α -chloortolueen"@nl , "benzylchloride"@nl ;
skos:broader csc:CHEMONTID_0003980 ;
skos:exactMatch wise:CAS_100-44-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzCl" ;
skos:prefLabel "α -chloortolueen "@nl ;
vcs:vmmParameterId "724"^^xsd:int .
csc:ZSLUVFAKFWKJRC-BJUDXGSMSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167210 ;
dbo:casNumber "14932-40-2" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-1" ;
dbo:iupacName "thorium-231"@en ;
dbo:pubchem "167210"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th231" ;
skos:prefLabel "thorium 231"@nl .
csc:FITZJYAVATZPMJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11390 ;
dbo:casNumber "581-75-9" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "Naphthalene-2,6-disulfonic acid"@en ;
dbo:pubchem "11390"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1S(=O)(=O)O" ;
dbp:inchikey "InChIKey=FITZJYAVATZPMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf26Dsfzr" ;
skos:prefLabel "naftaleen-2,6-disulfonzuur"@nl .
csc:SZEMGTQCPRNXEG-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70708 ;
dbo:casNumber "1120-02-1" ;
dbo:formula "C21H46BrN" ;
dbo:inchi "InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-octadecylazanium bromide"@en ;
dbo:pubchem "70708"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "InChIKey=SZEMGTQCPRNXEG-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yC18yNH4B" ;
skos:prefLabel "trimethyloctadecylammonium bromide"@nl .
csc:CHEMONTID_0002309
skos:narrower csc:HBJOXQRURQPDEX-MHXMMLMNSA-N .
csc:CHEMONTID_0004280
skos:narrower csc:ORLOBEXOFQEWFQ-UHFFFAOYSA-N .
csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7222 ;
dbo:casNumber "128366-28-9" , "95-16-9" ;
dbo:formula "C7H5NS" ;
dbo:inchi "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H" ;
dbo:iupacName "1,3-benzothiazole"@en ;
dbo:pubchem "7222"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=CS2" ;
dbp:inchikey "InChIKey=IOJUPLGTWVMSFF-UHFFFAOYSA-N" ;
skos:altLabel "benzothiazole"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:exactMatch wise:CAS_95-16-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benztazl" ;
skos:prefLabel "benzothiazool"@nl ;
vcs:vmmParameterId "1015"^^xsd:int .
csc:XLROVYAPLOFLNU-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:177681 ;
dbo:casNumber "15766-10-6" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1-1" ;
dbo:iupacName "protactinium-230"@en ;
dbo:pubchem "177681"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "InChIKey=XLROVYAPLOFLNU-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa230" ;
skos:prefLabel "protactinium 230"@nl .
csc:CHEMONTID_0003053
skos:narrower csc:BZFBDUQOBQHBSZ-BJRTZXQSSA-N .
csc:POAOYUHQDCAZBD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8133 ;
dbo:casNumber "111-76-2" , "9004-77-7" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" ;
dbo:iupacName "2-Butoxyethanol"@en ;
dbo:pubchem "8133"^^xsd:int ;
dbo:smiles "CCCCOCCO" ;
dbp:inchikey "InChIKey=POAOYUHQDCAZBD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_003 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4oxC2ol" ;
skos:prefLabel "2-butoxyethanol"@nl .
csc:SEQDDYPDSLOBDC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5391 ;
dbo:casNumber "846-50-4" ;
dbo:formula "C16H13ClN2O2" ;
dbo:inchi "InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3" ;
dbo:iupacName "7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "5391"^^xsd:int ;
dbo:smiles "CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=SEQDDYPDSLOBDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "temzpm" ;
skos:prefLabel "temazepam"@nl .
csc:ZSLUVFAKFWKJRC-NJFSPNSNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104875 ;
dbo:casNumber "15065-10-8" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1+2" ;
dbo:iupacName "thorium-234"@en ;
dbo:pubchem "104875"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th234" ;
skos:prefLabel "thorium 234"@nl .
csc:WLLGXSLBOPFWQV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8227 ;
dbo:casNumber "113-48-4" ;
dbo:formula "C17H25NO2" ;
dbo:inchi "InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3" ;
dbo:iupacName "4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione"@en ;
dbo:pubchem "8227"^^xsd:int ;
dbo:smiles "CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3" ;
dbp:inchikey "InChIKey=WLLGXSLBOPFWQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8ybccC7eDcb" ;
skos:prefLabel "octylbicyclohepteendicarboximide"@nl .
csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25429 ;
dbo:casNumber "102040-01-7" , "63278-70-6" , "39413-19-9" , "63090-40-4" , "105268-95-9" , "10605-21-7" , "212384-28-6" , "59758-95-1" , "110342-67-1" , "37953-07-4" ;
dbo:formula "C9H9N3O2" ;
dbo:inchi "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" ;
dbo:iupacName "methyl N-(1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "25429"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=CC=CC=C2N1" ;
dbp:inchikey "InChIKey=TWFZGCMQGLPBSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:exactMatch wise:CAS_10605-21-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbdzm" ;
skos:prefLabel "carbendazim"@nl ;
vcs:vmmParameterId "800"^^xsd:int .
csc:SGEJQUSYQTVSIU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14215 ;
dbo:casNumber "1114-71-2" ;
dbo:formula "C10H21NOS" ;
dbo:inchi "InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3" ;
dbo:iupacName "S-propyl (butyl-ethylamino)methanethioate"@en ;
dbo:pubchem "14215"^^xsd:int ;
dbo:smiles "CCCCN(CC)C(=O)SCCC" ;
dbp:inchikey "InChIKey=SGEJQUSYQTVSIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "peblt" ;
skos:prefLabel "pebulaat"@nl .
csc:BQFCCUSDZLKBJG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39253 ;
dbo:casNumber "42740-50-1" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "39253"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BQFCCUSDZLKBJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB196" ;
skos:prefLabel "2,2',3,3',4,4',5,6'-octachloorbifenyl"@nl .
csc:OWZREIFADZCYQD-NSHGMRRFSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40585 ;
dbo:casNumber "52918-63-5" , "55700-96-4" , "62229-77-0" ;
dbo:formula "C22H19Br2NO3" ;
dbo:inchi "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1" ;
dbo:iupacName "[(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "40585"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C" ;
dbp:inchikey "InChIKey=OWZREIFADZCYQD-NSHGMRRFSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dmtn" ;
skos:prefLabel "deltamethrin"@nl .
csc:CHEMONTID_0004201
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004201 ;
skos:definition "Compound containing a triazole ring fused to the benzene or the thiazole moiety of the benzothiazole ring system."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DQJCHOQLCLEDLL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004201" ;
skos:prefLabel "Triazolobenzothiazoles"@en .
csc:VIROVYVQCGLCII-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2164 ;
dbo:casNumber "57-43-2" ;
dbo:formula "C11H18N2O3" ;
dbo:inchi "InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2164"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)CCC(C)C" ;
dbp:inchikey "InChIKey=VIROVYVQCGLCII-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ambbtl" ;
skos:prefLabel "amobarbital"@nl .
csc:RQNWIZPPADIBDY-YPZZEJLDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336622 ;
dbo:casNumber "15422-59-0" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As/i1-2" ;
dbo:iupacName "arsenic-73"@en ;
dbo:pubchem "6336622"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "InChIKey=RQNWIZPPADIBDY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As73" ;
skos:prefLabel "arseen 73"@nl .
csc:LOQQVLXUKHKNIA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91729 ;
dbo:casNumber "79277-67-1" ;
dbo:formula "C11H11N5O6S2" ;
dbo:inchi "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" ;
dbo:iupacName "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid"@en ;
dbo:pubchem "91729"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" ;
dbp:inchikey "InChIKey=LOQQVLXUKHKNIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thifsfrn" ;
skos:prefLabel "thifensulfuron"@nl .
csc:XLROVYAPLOFLNU-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115129 ;
dbo:casNumber "13981-14-1" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1+2" ;
dbo:iupacName "protactinium-233"@en ;
dbo:pubchem "115129"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "InChIKey=XLROVYAPLOFLNU-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa233" ;
skos:prefLabel "protactinium 233"@nl .
csc:YYJNOYZRYGDPNH-MFKUBSTISA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9576412 ;
dbo:casNumber "134098-61-6" , "111812-58-9" ;
dbo:formula "C24H27N3O4" ;
dbo:inchi "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" ;
dbo:iupacName "tert-butyl 4-[[[1,3-dimethyl-5-(phenoxy)pyrazol-4-yl]methylideneamino]oxymethyl]benzoate"@en ;
dbo:pubchem "9576412"^^xsd:int ;
dbo:smiles "CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" ;
dbp:inchikey "InChIKey=YYJNOYZRYGDPNH-MFKUBSTISA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenprxmt" ;
skos:prefLabel "fenpyroximaat"@nl .
csc:CHEMONTID_0001851
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001851 ;
skos:definition "Compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ALRLPDGCPYIVHP-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:BZCXQYVNASLLQO-UHFFFAOYSA-N , csc:BIJNHUAPTJVVNQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001851" ;
skos:prefLabel "Pyrenes"@en .
csc:STJLVHWMYQXCPB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43234 ;
dbo:casNumber "60207-90-1" , "75881-82-2" ;
dbo:formula "C15H17Cl2N3O2" ;
dbo:inchi "InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "43234"^^xsd:int ;
dbo:smiles "CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N" ;
skos:altLabel "propiconazol (som cis- en trans-)"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_60207-90-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propcnzl" ;
skos:prefLabel "propiconazol"@nl ;
vcs:vmmParameterId "1187"^^xsd:int .
csc:CHEMONTID_0003600
skos:narrower csc:YAIKCRUPEVOINQ-UHFFFAOYSA-N , csc:XTEGVFVZDVNBPF-UHFFFAOYSA-N , csc:PSZYNBSKGUBXEH-UHFFFAOYSA-N .
csc:ANUCHZVCBDOPOX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9177 ;
dbo:casNumber "224-42-0" ;
dbo:formula "C21H13N" ;
dbo:inchi "InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H" ;
dbo:iupacName "13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9177"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4" ;
dbp:inchikey "InChIKey=ANUCHZVCBDOPOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbenzajacdne" ;
skos:prefLabel "dibenz(a,j)acridine"@nl .
csc:FDJQHYWUHGBBTO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38221 ;
dbo:casNumber "108066-98-4" , "6219-67-6" , "615-05-4" , "39156-41-7" ;
dbo:formula "C7H12N2O5S" ;
dbo:inchi "InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)" ;
dbo:iupacName "4-methoxybenzene-1,3-diamine; sulfuric acid"@en ;
dbo:pubchem "38221"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=FDJQHYWUHGBBTO-UHFFFAOYSA-N" ;
skos:altLabel "2,4-diaminoanisolsulfaat"@nl ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAoansl" , "24DAoansSO4" ;
skos:prefLabel "2,4-diaminoanisol"@nl .
csc:DLHXRDUXNVEIEY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17131 ;
dbo:casNumber "2445-83-2" ;
dbo:formula "C10H8O2" ;
dbo:inchi "InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3" ;
dbo:iupacName "7-methylchromen-2-one"@en ;
dbo:pubchem "17131"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C=CC(=O)O2" ;
dbp:inchikey "InChIKey=DLHXRDUXNVEIEY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7C1ycmrn" ;
skos:prefLabel "7-methylcoumarin"@nl .
csc:DKMROQRQHGEIOW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31249 ;
dbo:casNumber "68989-32-2" , "123-25-1" ;
dbo:formula "C8H14O4" ;
dbo:inchi "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Diethyl butanedioate"@en ;
dbo:pubchem "31249"^^xsd:int ;
dbo:smiles "CCOC(=O)CCC(=O)OCC" ;
dbp:inchikey "InChIKey=DKMROQRQHGEIOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4aDzrDC2yEs" ;
skos:prefLabel "butaandizuur, diethylester"@nl .
csc:CHEMONTID_0000141
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000141 ;
skos:definition "Compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IQUPABOKLQSFBK-UHFFFAOYSA-N , csc:RTZZCYNQPHTPPL-UHFFFAOYSA-N , csc:OXNIZHLAWKMVMX-UHFFFAOYSA-N , csc:SYDNSSSQVSOXTN-UHFFFAOYSA-N , csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000141" ;
skos:prefLabel "Nitrophenols"@en .
csc:YREQHYQNNWYQCJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:71245 ;
dbo:casNumber "80844-07-1" ;
dbo:formula "C25H28O3" ;
dbo:inchi "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" ;
dbo:iupacName "1-ethoxy-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene"@en ;
dbo:pubchem "71245"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=YREQHYQNNWYQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfpx" ;
skos:prefLabel "ethofenprox"@nl .
csc:LFYXNXGVLGKVCJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16913 ;
dbo:casNumber "2371-42-8" , "18680-50-7" , "27695-81-4" , "95097-54-4" , "112548-27-3" ;
dbo:formula "C11H20O" ;
dbo:inchi "InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3" ;
dbo:iupacName "1,6,7,7-tetramethylbicyclo[2.2.1]heptan-6-ol"@en ;
dbo:pubchem "16913"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(C2)(C)O)C)C" ;
dbp:inchikey "InChIKey=LFYXNXGVLGKVCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yibnol" ;
skos:prefLabel "2-methyl isoborneol"@nl .
csc:HFCFJYRLBAANKN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11783 ;
dbo:casNumber "603-83-8" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methyl-3-nitroaniline"@en ;
dbo:pubchem "11783"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=HFCFJYRLBAANKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao6NO2Tol" ;
skos:prefLabel "2-amino-6-nitrotolueen"@nl .
csc:CHEMONTID_0004742
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004742 ;
skos:definition "Aromatic compounds contaning a phenoxy group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N , csc:QYMMJNLHFKGANY-UHFFFAOYSA-N , csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N , csc:AUQAUAIUNJIIEP-UHFFFAOYSA-N , csc:ANIAQSUBRGXWLS-UHFFFAOYSA-N , csc:SDKQRNRRDYRQKY-UHFFFAOYSA-N , csc:PWYIUEFFPNVCMW-UHFFFAOYSA-N , csc:ZNRZGJAHNMGWQN-UHFFFAOYSA-N , csc:JXHJNEJVUNHLKO-UHFFFAOYSA-N , csc:IMIDOCRTMDIQIJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004742" ;
skos:prefLabel "Phenoxy compounds"@en .
csc:YZCKVEUIGOORGS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5362549 ;
dbo:casNumber "1333-74-0" ;
dbo:formula "H" ;
dbo:inchi "InChI=1S/H" ;
dbo:iupacName "Hydrogen"@en ;
dbo:pubchem "5362549"^^xsd:int ;
dbo:smiles "[H]" ;
dbp:inchikey "InChIKey=YZCKVEUIGOORGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H" ;
skos:prefLabel "waterstof"@nl .
csc:VHYFNPMBLIVWCW-UHFFFAOYSA-O
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2735020 ;
dbo:casNumber "1122-58-3" ;
dbo:formula "C7H11N2+" ;
dbo:inchi "InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3/p+1" ;
dbo:iupacName "N,N-dimethylpyridin-1-ium-4-amine"@en ;
dbo:pubchem "2735020"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=[NH+]C=C1" ;
dbp:inchikey "InChIKey=VHYFNPMBLIVWCW-UHFFFAOYSA-O" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yAoprdne" ;
skos:prefLabel "4-dimethylaminopyridine"@nl .
csc:TYMLOMAKGOJONV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7475 ;
dbo:casNumber "100-01-6" , "38013-32-0" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "['4-Nitroaniline', 'N,N-dihydroxybenzene-1,4-diamine']"@en ;
dbo:pubchem "7475"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=TYMLOMAKGOJONV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2An" ;
skos:prefLabel "4-nitroaniline"@nl .
csc:CHEMONTID_0000056
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000056 ;
skos:definition "Compounds containing a quinoline moiety which bears a ketone group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000056" ;
skos:prefLabel "Quinolones and derivatives"@en .
csc:SIXSYDAISGFNSX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23952 ;
dbo:casNumber "7440-20-2" , "14391-83-4" , "195161-76-3" ;
dbo:formula "Sc" ;
dbo:inchi "InChI=1S/Sc" ;
dbo:iupacName "SCANDIUM"@en ;
dbo:pubchem "23952"^^xsd:int ;
dbo:smiles "[Sc]" ;
dbp:inchikey "InChIKey=SIXSYDAISGFNSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sc" ;
skos:prefLabel "scandium"@nl .
csc:IMRYETFJNLKUHK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91696 ;
dbo:casNumber "68140-48-7" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3" ;
dbo:iupacName "1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone"@en ;
dbo:pubchem "91696"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C" ;
dbp:inchikey "InChIKey=IMRYETFJNLKUHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATTI" ;
skos:prefLabel "traseolide"@nl .
csc:FNPXMHRZILFCKX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:52421 ;
dbo:casNumber "73771-04-7" ;
dbo:formula "C27H36O8" ;
dbo:inchi "InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3" ;
dbo:iupacName "[2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate"@en ;
dbo:pubchem "52421"^^xsd:int ;
dbo:smiles "CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC" ;
dbp:inchikey "InChIKey=FNPXMHRZILFCKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "predncbt" ;
skos:prefLabel "prednicarbaat"@nl .
csc:PTCGDEVVHUXTMP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47898 ;
dbo:casNumber "66332-96-5" , "84461-35-8" ;
dbo:formula "C17H16F3NO2" ;
dbo:inchi "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" ;
dbo:iupacName "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide"@en ;
dbo:pubchem "47898"^^xsd:int ;
dbo:smiles "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" ;
dbp:inchikey "InChIKey=PTCGDEVVHUXTMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutlnl" ;
skos:prefLabel "flutolanil"@nl .
csc:CHEMONTID_0001198
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001198 ;
skos:definition "Organic compounds containing a functional group with the general structure R1C(=S)R2 (R1, R2=H, alkyl, aryl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001198" ;
skos:prefLabel "Thiocarbonyl compounds"@en .
csc:CHEMONTID_0001204
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001204 ;
skos:definition "Organic compounds containing the phosphoric acid amide functional group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GNOIPBMMFNIUFM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001204" ;
skos:prefLabel "Organic phosphoramides"@en .
csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5817 ;
dbo:casNumber "51-44-5" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)" ;
dbo:iupacName "3,4-Dichlorobenzoic acid"@en ;
dbo:pubchem "5817"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=VPHHJAOJUJHJKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClBencbzr" ;
skos:prefLabel "3,4-dichloorbenzeencarbonzuur"@nl .
csc:GATVIKZLVQHOMN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31296 ;
dbo:casNumber "124-48-1" ;
dbo:formula "CHBr2Cl" ;
dbo:inchi "InChI=1S/CHBr2Cl/c2-1(3)4/h1H" ;
dbo:iupacName "dibromo-chloromethane"@en ;
dbo:pubchem "31296"^^xsd:int ;
dbo:smiles "C(Cl)(Br)Br" ;
dbp:inchikey "InChIKey=GATVIKZLVQHOMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_124-48-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrClC1a" ;
skos:prefLabel "dibroomchloormethaan"@nl ;
vcs:vmmParameterId "377"^^xsd:int .
csc:KNLLPAOBVIKLDE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:35405 ;
dbo:casNumber "30667-99-3" ;
dbo:formula "C16H15Cl3O2" ;
dbo:inchi "InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3" ;
dbo:iupacName "1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene"@en ;
dbo:pubchem "35405"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=KNLLPAOBVIKLDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24C1oxCl" ;
skos:prefLabel "2,4'-methoxychloor"@nl .
csc:YFNCATAIYKQPOO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31991 ;
dbo:casNumber "37359-51-6" , "23564-06-9" , "39300-54-4" , "37233-54-8" ;
dbo:formula "C14H18N4O4S2" ;
dbo:inchi "InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)" ;
dbo:iupacName "ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate"@en ;
dbo:pubchem "31991"^^xsd:int ;
dbo:smiles "CCOC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OCC)S)S" ;
dbp:inchikey "InChIKey=YFNCATAIYKQPOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnC2y" ;
skos:prefLabel "thiofanaat-ethyl"@nl .
csc:CHEMONTID_0003573
skos:narrower csc:PGBHMTALBVVCIT-VCIWKGPPSA-N .
csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12484 ;
dbo:casNumber "636-21-5" ;
dbo:formula "C7H10ClN" ;
dbo:inchi "InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H" ;
dbo:iupacName "2-METHYLANILINE HYDROCHLORIDE"@en ;
dbo:pubchem "12484"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N.Cl" ;
dbp:inchikey "InChIKey=OGVXWEOZQMAAIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "otolidnHCl" ;
skos:prefLabel "o-toluidine hydrochloride"@nl .
csc:PWYIUEFFPNVCMW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23717 ;
dbo:casNumber "7292-16-2" ;
dbo:formula "C13H21O4PS" ;
dbo:inchi "InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3" ;
dbo:iupacName "(4-methylsulfanylphenyl) dipropyl phosphate"@en ;
dbo:pubchem "23717"^^xsd:int ;
dbo:smiles "CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC" ;
dbp:inchikey "InChIKey=PWYIUEFFPNVCMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfs" ;
skos:prefLabel "propafos"@nl .
csc:CHEMONTID_0002346
skos:narrower csc:PLGQWYOULXPJRE-UHFFFAOYSA-N .
csc:LBCZOTMMGHGTPH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24775 ;
dbo:casNumber "53663-54-0" , "77137-66-7" , "63172-50-9" , "54834-97-8" , "39341-03-2" , "52628-05-4" , "50815-48-0" , "71538-51-7" , "39316-46-6" , "141443-66-5" , "11130-43-1" , "59112-84-4" , "9036-19-5" , "188612-22-8" , "68310-57-6" , "9081-83-8" , "55600-46-9" , "58056-95-4" , "120026-27-9" , "53858-66-5" , "1336-60-3" , "12679-74-2" , "39320-65-5" , "39283-49-3" , "73904-96-8" ;
dbo:formula "C18H30O3" ;
dbo:inchi "InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3" ;
dbo:iupacName "2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol"@en ;
dbo:pubchem "24775"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO" ;
dbp:inchikey "InChIKey=LBCZOTMMGHGTPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8yfOxplC2ox" ;
skos:prefLabel "octylfenoxypolyethoxyethanol"@nl .
csc:AKNQMEBLVAMSNZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:43233 ;
dbo:casNumber "60207-31-0" ;
dbo:formula "C12H11Cl2N3O2" ;
dbo:inchi "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "43233"^^xsd:int ;
dbo:smiles "C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=AKNQMEBLVAMSNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azacnzl" ;
skos:prefLabel "azaconazool"@nl .
csc:CHEMONTID_0000120
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000120 ;
skos:definition "Organic compounds containing a ketone attached to two phenyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DKYWVDODHFEZIM-UHFFFAOYSA-N , csc:RUETVLNXAGWCDS-UHFFFAOYSA-N , csc:MQOBSOSZFYZQOK-UHFFFAOYSA-N , csc:OKISUZLXOYGIFP-UHFFFAOYSA-N , csc:RWCCWEUUXYIKHB-UHFFFAOYSA-N , csc:VVBLNCFGVYUYGU-UHFFFAOYSA-N , csc:OPXLLQIJSORQAM-UHFFFAOYSA-N , csc:YMTINGFKWWXKFG-UHFFFAOYSA-N , csc:AMSPWOYQQAWRRM-UHFFFAOYSA-N , csc:CPEUVMUXAHMANV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000120" ;
skos:prefLabel "Benzophenones"@en .
csc:CHEMONTID_0004089
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004089 ;
skos:definition "Organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZIMCZOLRXKPXLN-UHFFFAOYSA-N , csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004089" ;
skos:prefLabel "Dialkyldisulfides"@en .
csc:XDNBJTQLKCIJBV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8292 ;
dbo:casNumber "115-90-2" ;
dbo:formula "C11H17O4PS2" ;
dbo:inchi "InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3" ;
dbo:iupacName "diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "8292"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C" ;
dbp:inchikey "InChIKey=XDNBJTQLKCIJBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fensfton" ;
skos:prefLabel "fensulfothion"@nl .
csc:WPNHOHPRXXCPRA-TVXIRPTOSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6450531 ;
dbo:casNumber "159628-36-1" , "123997-26-2" ;
dbo:formula "C49H73NO14" ;
dbo:inchi "InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1" ;
dbo:iupacName "N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide"@en ;
dbo:pubchem "6450531"^^xsd:int ;
dbo:smiles "CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O" ;
dbp:inchikey "InChIKey=WPNHOHPRXXCPRA-TVXIRPTOSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epnmtn" ;
skos:prefLabel "eprinomectin"@nl .
csc:JQZFYIGAYWLRCC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9632 ;
dbo:casNumber "354-25-6" ;
dbo:formula "C2HClF4" ;
dbo:inchi "InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H" ;
dbo:iupacName "1-Chloro-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "9632"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)F" ;
dbp:inchikey "InChIKey=JQZFYIGAYWLRCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK124a" ;
skos:prefLabel "1-chloor-1,1,2,2-tetrafluorethaan"@nl .
csc:CHEMONTID_0004721
skos:narrower csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N , csc:MXWJVTOOROXGIU-UHFFFAOYSA-N , csc:MGNCLNQXLYJVJD-UHFFFAOYSA-N , csc:FVFVNNKYKYZTJU-UHFFFAOYSA-N .
csc:RIOXQFHNBCKOKP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28780 ;
dbo:casNumber "52683-56-4" , "39357-40-9" , "17804-35-2" ;
dbo:formula "C14H18N4O3" ;
dbo:inchi "InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)" ;
dbo:iupacName "methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "28780"^^xsd:int ;
dbo:smiles "CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC" ;
dbp:inchikey "InChIKey=RIOXQFHNBCKOKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benml" ;
skos:prefLabel "benomyl"@nl .
csc:CHEMONTID_0000518
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000518 ;
skos:definition "Compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000518" ;
skos:prefLabel "Triphenylenes"@en .
csc:CHEMONTID_0001262
skos:narrower csc:GTKRZJVAXAQBMB-UHFFFAOYSA-N , csc:DSKJPMWIHSOYEA-UHFFFAOYSA-N .
csc:CHEMONTID_0000035
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000035 ;
skos:definition "Aromatic compounds containing a halogen atom linked to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000035" ;
skos:prefLabel "Halobenzenes"@en .
csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42140 ;
dbo:casNumber "57117-44-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H" ;
dbo:iupacName "1,2,3,6,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42140"^^xsd:int ;
dbo:smiles "C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JEYJJJXOFWNEHN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,6,7,8-hexachloordibenzofuran"@nl , " 1,2,3,6,7,8-hexachloordibenzofuraan"@nl , "1,2,3,6,7,8-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-44-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF121" ;
skos:prefLabel "1,2,3,6,7,8-hexachloordibenzofuraan (hxcdf)"@nl ;
vcs:vmmParameterId "1241"^^xsd:int .
csc:VNEBWJSWMVTSHK-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8673 ;
dbo:casNumber "135-51-3" , "148-75-4" , "39301-76-3" ;
dbo:formula "C10H6Na2O7S2" ;
dbo:inchi "InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 3-hydroxynaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "8673"^^xsd:int ;
dbo:smiles "C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=VNEBWJSWMVTSHK-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxNaf27Dsf" ;
skos:prefLabel "3-hydroxynaftaleen-2,7-disulfonzuur"@nl .
csc:SKDFWEPBABSFMG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15442 ;
dbo:casNumber "1649-08-7" , "25915-78-0" ;
dbo:formula "C2H2Cl2F2" ;
dbo:inchi "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "1,2-DICHLORO-1,1-DIFLUOROETHANE"@en ;
dbo:pubchem "15442"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)Cl" ;
dbp:inchikey "InChIKey=SKDFWEPBABSFMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK132b" ;
skos:prefLabel "1,2-dichloor-1,1-difluorethaan"@nl .
csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7070 ;
dbo:casNumber "91-94-1" , "86349-58-8" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline"@en ;
dbo:pubchem "7070"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "InChIKey=HUWXDEQWWKGHRV-UHFFFAOYSA-N" ;
skos:altLabel "3,3'-dichloorbenzidine"@nl ;
skos:broader csc:CHEMONTID_0003956 ;
skos:exactMatch wise:CAS_91-94-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdne" ;
skos:prefLabel "3,3’-dichloorbenzidine"@nl ;
vcs:vmmParameterId "474"^^xsd:int .
csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:38019 ;
dbo:casNumber "38380-08-4" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38019"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LCXMEXLGMKFLQO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 156"@nl , "2,3,3',4,4',5-hexachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_38380-08-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB156" ;
skos:prefLabel "PCB 156"@nl ;
vcs:vmmParameterId "1372"^^xsd:int .
csc:TVYLLZQTGLZFBW-ZBFHGGJFSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33741 ;
dbo:casNumber "27203-92-5" ;
dbo:formula "C16H25NO2" ;
dbo:inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1" ;
dbo:iupacName "(1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol"@en ;
dbo:pubchem "33741"^^xsd:int ;
dbo:smiles "CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O" ;
dbp:inchikey "InChIKey=TVYLLZQTGLZFBW-ZBFHGGJFSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tramdl" ;
skos:prefLabel "tramadol"@nl .
csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6975 ;
dbo:casNumber "89-59-8" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-1-methyl-2-nitrobenzene"@en ;
dbo:pubchem "6975"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SQFLFRQWPBEDHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-59-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2Tol" ;
skos:prefLabel "4-chloor-2-nitrotolueen"@nl ;
vcs:vmmParameterId "362"^^xsd:int .
csc:RXVCHKFNBPFYCC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6451507 ;
dbo:casNumber "3053-85-8" ;
dbo:formula "C9H12N2O5S" ;
dbo:inchi "InChI=1S/C9H12N2O5S/c1-9(2)4(7(14)15)11-5(17-9)3(6(12)13)10-8(11)16/h3-5H,1-2H3,(H,10,16)(H,12,13)(H,14,15)" ;
dbo:iupacName "2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid"@en ;
dbo:pubchem "6451507"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C" ;
dbp:inchikey "InChIKey=RXVCHKFNBPFYCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8-HPA" ;
skos:prefLabel "8-hydroxypennelic acid"@nl .
csc:YWHLKYXPLRWGSE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19310 ;
dbo:casNumber "3658-80-8" , "85931-54-0" ;
dbo:formula "C2H6S3" ;
dbo:inchi "InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3" ;
dbo:iupacName "methylsulfanyldisulfanylmethane"@en ;
dbo:pubchem "19310"^^xsd:int ;
dbo:smiles "CSSSC" ;
dbp:inchikey "InChIKey=YWHLKYXPLRWGSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002799 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yTS" ;
skos:prefLabel "dimethyltrisulfide"@nl .
csc:YASYVMFAVPKPKE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1982 ;
dbo:casNumber "115096-11-2" , "30560-19-1" ;
dbo:formula "C4H10NO3PS" ;
dbo:inchi "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)" ;
dbo:iupacName "N-(methoxy-methylsulfanylphosphoryl)acetamide"@en ;
dbo:pubchem "1982"^^xsd:int ;
dbo:smiles "CC(=O)NP(=O)(OC)SC" ;
dbp:inchikey "InChIKey=YASYVMFAVPKPKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acft" ;
skos:prefLabel "acefaat"@nl .
csc:CHEMONTID_0000093
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000093 ;
skos:definition "Cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KCOCSOWTADCKOL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000093" ;
skos:prefLabel "Thiadiazoles"@en .
csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6658 ;
dbo:casNumber "80-62-6" , "162221-54-7" , "220713-32-6" , "9065-11-6" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" ;
dbo:iupacName "methyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "6658"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OC" ;
dbp:inchikey "InChIKey=VVQNEPGJFQJSBK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_012 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ymtclt" ;
skos:prefLabel "methylmethacrylaat"@nl .
csc:CHEMONTID_0002951
skos:narrower csc:HLZKNKRTKFSKGZ-UHFFFAOYSA-N , csc:BXWNKGSJHAJOGX-UHFFFAOYSA-N , csc:BTFJIXJJCSYFAL-UHFFFAOYSA-N .
csc:CHEMONTID_0001724
skos:narrower csc:VJFUPGQZSXIULQ-XIGJTORUSA-N , csc:ROVGZAWFACYCSP-VUMXUWRFSA-N .
csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5765 ;
dbo:casNumber "50-45-3" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)" ;
dbo:iupacName "2,3-DICHLOROBENZOIC ACID"@en ;
dbo:pubchem "5765"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C(=O)O" ;
dbp:inchikey "InChIKey=QAOJBHRZQQDFHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClBencbzr" ;
skos:prefLabel "2,3-dichloorbenzeencarbonzuur"@nl .
csc:CHEMONTID_0003467
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003467 ;
skos:definition "Organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RQDJADAKIFFEKQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003467" ;
skos:prefLabel "Linear 1,3-diarylpropanoids"@en .
csc:VHRGRCVQAFMJIZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:273 ;
dbo:casNumber "462-94-2" ;
dbo:formula "C5H14N2" ;
dbo:inchi "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2" ;
dbo:iupacName "PENTANE-1,5-DIAMINE"@en ;
dbo:pubchem "273"^^xsd:int ;
dbo:smiles "C(CCN)CCN" ;
dbp:inchikey "InChIKey=VHRGRCVQAFMJIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "15C5aDAe" ;
skos:prefLabel "1,5-pentaandiamine"@nl .
csc:KZJWDPNRJALLNS-VJSFXXLFSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:222284 ;
dbo:casNumber "83-46-5" ;
dbo:formula "C29H50O" ;
dbo:inchi "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "222284"^^xsd:int ;
dbo:smiles "CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C" ;
dbp:inchikey "InChIKey=KZJWDPNRJALLNS-VJSFXXLFSA-N" ;
skos:broader csc:CHEMONTID_0002031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bsitsrl" ;
skos:prefLabel "beta-sitosterol"@nl .
csc:GNOIPBMMFNIUFM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12679 ;
dbo:casNumber "51557-01-8" , "24992-55-0" , "630-31-9" , "680-31-9" ;
dbo:formula "C6H18N3OP" ;
dbo:inchi "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" ;
dbo:iupacName "['N-bis(dimethylamino)phosphoryl-N-methylmethanamine', 'tris(dimethylamino)-hydroxyphosphanium']"@en ;
dbo:pubchem "12679"^^xsd:int ;
dbo:smiles "CN(C)P(=O)(N(C)C)N(C)C" ;
dbp:inchikey "InChIKey=GNOIPBMMFNIUFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001204 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yPAd" ;
skos:prefLabel "hexamethylfosforamide"@nl .
csc:PORQOHRXAJJKGK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91688 ;
dbo:casNumber "64359-81-5" ;
dbo:formula "C11H17Cl2NOS" ;
dbo:inchi "InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3" ;
dbo:iupacName "4,5-dichloro-2-octyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "91688"^^xsd:int ;
dbo:smiles "CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl" ;
dbp:inchikey "InChIKey=PORQOHRXAJJKGK-UHFFFAOYSA-N" ;
skos:altLabel "4,5-dichloor-2-octyl-2h-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2C8y2Hi" ;
skos:prefLabel "4,5-dichloor-2-octyl-2H-isothiazool-3-on"@nl .
csc:CHEMONTID_0000014
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000014 ;
skos:definition "Compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WSEQXVZVJXJVFP-UHFFFAOYSA-N , csc:SGTNSNPWRIOYBX-UHFFFAOYSA-N , csc:PXMNMQRDXWABCY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000014" ;
skos:prefLabel "Phenylbutylamines"@en .
csc:XCZCWGVXRBJCCD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8638 ;
dbo:casNumber "134-29-2" ;
dbo:formula "C7H10ClNO" ;
dbo:inchi "InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H" ;
dbo:iupacName "2-Methoxyaniline hydrochloride"@en ;
dbo:pubchem "8638"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1N.Cl" ;
dbp:inchikey "InChIKey=XCZCWGVXRBJCCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ansdnHCl" ;
skos:prefLabel "2-anisidine hydrochloride"@nl .
csc:CHEMONTID_0002866
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002866 ;
skos:definition "Organic compounds containing an aromatic ring (or ring system) carrying a C-X bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002866" ;
skos:prefLabel "Aryl halides"@en .
csc:RQVGAIADHNPSME-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17531 ;
dbo:casNumber "2642-71-9" ;
dbo:formula "C12H16N3O3PS2" ;
dbo:inchi "InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one"@en ;
dbo:pubchem "17531"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1" ;
dbp:inchikey "InChIKey=RQVGAIADHNPSME-UHFFFAOYSA-N" ;
skos:altLabel "azinfos-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004660 ;
skos:exactMatch wise:CAS_2642-71-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yazfs" ;
skos:prefLabel "ethylazinfos"@nl ;
vcs:vmmParameterId "393"^^xsd:int .
csc:CHEMONTID_0000640
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000640 ;
skos:definition "Inorganic compounds in which the largest oxoanion is hypochlorite, and in which the heaviest atom not in an oxoanion is an alkali metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N , csc:FHKLOBNGYGFRSF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000640" ;
skos:prefLabel "Alkali metal hypochlorites"@en .
csc:QMLVECGLEOSESV-RYUDHWBXSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71335 ;
dbo:casNumber "112398-08-0" ;
dbo:formula "C19H20FN3O3" ;
dbo:inchi "InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1" ;
dbo:iupacName "1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "71335"^^xsd:int ;
dbo:smiles "CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F" ;
dbp:inchikey "InChIKey=QMLVECGLEOSESV-RYUDHWBXSA-N" ;
skos:altLabel "danofloxacine"@nl ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "danfxcn" ;
skos:prefLabel "danofloxacin"@nl .
csc:YKBZOVFACRVRJN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:197701 ;
dbo:casNumber "165252-70-0" ;
dbo:formula "C7H14N4O3" ;
dbo:inchi "InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)" ;
dbo:iupacName "2-methyl-3-nitro-1-(oxolan-3-ylmethyl)guanidine"@en ;
dbo:pubchem "197701"^^xsd:int ;
dbo:smiles "CN=C(NCC1CCOC1)N[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=YKBZOVFACRVRJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004667 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dntfrn" ;
skos:prefLabel "dinotefuran"@nl .
csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4684 ;
dbo:casNumber "106-48-9" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" ;
dbo:iupacName "4-Chlorophenol"@en ;
dbo:pubchem "4684"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)Cl" ;
dbp:inchikey "InChIKey=WXNZTHHGJRFXKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_106-48-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFol" ;
skos:prefLabel "4-chloorfenol"@nl ;
vcs:vmmParameterId "364"^^xsd:int .
csc:SGTNSNPWRIOYBX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2520 ;
dbo:casNumber "52-53-9" , "56949-77-0" ;
dbo:formula "C27H38N2O4" ;
dbo:inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3" ;
dbo:iupacName "2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile"@en ;
dbo:pubchem "2520"^^xsd:int ;
dbo:smiles "CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC" ;
dbp:inchikey "InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000014 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verpml" ;
skos:prefLabel "verapamil"@nl .
csc:CHEMONTID_0000555
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000555 ;
skos:definition "Inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UCKMPCXJQFINFW-UHFFFAOYSA-N , csc:RWSOTUBLDIXVET-UHFFFAOYSA-N , csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000555" ;
skos:prefLabel "Other non-metal sulfides"@en .
csc:LRUDIIUSNGCQKF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8705 ;
dbo:casNumber "136-85-6" , "49636-02-4" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" ;
dbo:iupacName "5-methyl-2H-benzotriazole"@en ;
dbo:pubchem "8705"^^xsd:int ;
dbo:smiles "CC1=CC2=NNN=C2C=C1" ;
dbp:inchikey "InChIKey=LRUDIIUSNGCQKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1y1Hbztazl" ;
skos:prefLabel "5-methyl-1H-benzotriazool"@nl .
csc:LGHZJDKSVUTELU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3078139 ;
dbo:casNumber "120068-36-2" ;
dbo:formula "C12H4Cl2F6N4O2S" ;
dbo:inchi "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" ;
dbo:iupacName "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile"@en ;
dbo:pubchem "3078139"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F" ;
dbp:inchikey "InChIKey=LGHZJDKSVUTELU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fipnsfn" ;
skos:prefLabel "fipronil-sulfon"@nl .
csc:LJOZMWRYMKECFF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27195 ;
dbo:casNumber "15310-01-7" ;
dbo:formula "C13H10INO" ;
dbo:inchi "InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)" ;
dbo:iupacName "2-Iodo-N-phenylbenzamide"@en ;
dbo:pubchem "27195"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I" ;
dbp:inchikey "InChIKey=LJOZMWRYMKECFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benodnl" ;
skos:prefLabel "benodanil"@nl .
csc:CSCPPACGZOOCGX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:180 ;
dbo:casNumber "67-64-1" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" ;
dbo:iupacName "propan-2-one"@en ;
dbo:pubchem "180"^^xsd:int ;
dbo:smiles "CC(=O)C" ;
dbp:inchikey "InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actn" ;
skos:prefLabel "aceton"@nl .
csc:KIDWGGCIROEJJW-GQCTYLIASA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6399420 ;
dbo:casNumber "30558-43-1" ;
dbo:formula "C5H10N2O2S" ;
dbo:inchi "InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4+" ;
dbo:iupacName "(2E)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanylacetamide"@en ;
dbo:pubchem "6399420"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(=NO)SC" ;
dbp:inchikey "InChIKey=KIDWGGCIROEJJW-GQCTYLIASA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OamOxme" ;
skos:prefLabel "oxamyl-oxime"@nl .
csc:LOJHHQNEBFCTQK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20129 ;
dbo:casNumber "157967-88-9" , "4169-04-4" , "38600-05-4" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" ;
dbo:iupacName "2-(phenoxy)propan-1-ol"@en ;
dbo:pubchem "20129"^^xsd:int ;
dbo:smiles "CC(CO)OC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=LOJHHQNEBFCTQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2fenOx1C3ol" ;
skos:prefLabel "2-fenoxy-1-propanol"@nl .
csc:CHEMONTID_0000072
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000072 ;
skos:definition "Compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZUXABONWMNSFBN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000072" ;
skos:prefLabel "Dibenzodiazepines"@en .
csc:XZZNDPSIHUTMOC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8289 ;
dbo:casNumber "115-86-6" , "402955-02-6" ;
dbo:formula "C18H15O4P" ;
dbo:inchi "InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "['Triphenyl phosphate', 'hydroxy-tris(phenoxy)phosphanium']"@en ;
dbo:pubchem "8289"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=XZZNDPSIHUTMOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFyPO4" ;
skos:prefLabel "trifenylfosfaat"@nl .
csc:FTNJWQUOZFUQQJ-NDAWSKJSSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281303 ;
dbo:casNumber "11141-17-6" ;
dbo:formula "C35H44O16" ;
dbo:inchi "InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1" ;
dbo:iupacName "dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate"@en ;
dbo:pubchem "5281303"^^xsd:int ;
dbo:smiles "CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C" ;
dbp:inchikey "InChIKey=FTNJWQUOZFUQQJ-NDAWSKJSSA-N" ;
skos:broader csc:CHEMONTID_0002380 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azdrtn" ;
skos:prefLabel "azadirachtin"@nl .
csc:AGKSTYPVMZODRV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93483 ;
dbo:casNumber "86598-92-7" ;
dbo:formula "C17H13Cl3N4S" ;
dbo:inchi "InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2" ;
dbo:iupacName "1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine"@en ;
dbo:pubchem "93483"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl" ;
dbp:inchikey "InChIKey=AGKSTYPVMZODRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imbcnzl" ;
skos:prefLabel "imibenconazool"@nl .
csc:MGWAVDBGNNKXQV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6782 ;
dbo:casNumber "68955-80-6" , "84-69-5" , "68951-39-3" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" ;
dbo:iupacName "bis(2-methylpropyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6782"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C" ;
dbp:inchikey "InChIKey=MGWAVDBGNNKXQV-UHFFFAOYSA-N" ;
skos:altLabel "di-isobutylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-69-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC4yFt" ;
skos:prefLabel "diisobutylftalaat"@nl ;
vcs:vmmParameterId "66"^^xsd:int .
csc:CHEMONTID_0004673
skos:narrower csc:PQTBTIFWAXVEPB-UHFFFAOYSA-N , csc:KPUREKXXPHOJQT-UHFFFAOYSA-N .
csc:CXGONMQFMIYUJR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67545 ;
dbo:casNumber "307-55-1" ;
dbo:formula "C12HF23O2" ;
dbo:inchi "InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid"@en ;
dbo:pubchem "67545"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=CXGONMQFMIYUJR-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-dodecaanzuur (pfdoda)"@nl , "perfluor-n-dodecaanzuur"@nl , "perfluordodecaanzuur (pfdoda)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDoA" ;
skos:prefLabel "perfluordodecaanzuur"@nl .
csc:DGAIEPBNLOQYER-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3736 ;
dbo:casNumber "73334-07-3" ;
dbo:formula "C18H24I3N3O8" ;
dbo:inchi "InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)" ;
dbo:iupacName "N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3736"^^xsd:int ;
dbo:smiles "CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I" ;
dbp:inchikey "InChIKey=DGAIEPBNLOQYER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopmde" ;
skos:prefLabel "jopromide"@nl .
csc:CHEMONTID_0002362
skos:narrower csc:JUZNIMUFDBIJCM-ANEDZVCMSA-N .
csc:LFULEKSKNZEWOE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4933 ;
dbo:casNumber "709-98-8" , "11096-32-5" , "110343-36-7" ;
dbo:formula "C9H9Cl2NO" ;
dbo:inchi "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)" ;
dbo:iupacName "N-(3,4-Dichlorophenyl)propanamide"@en ;
dbo:pubchem "4933"^^xsd:int ;
dbo:smiles "CCC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=LFULEKSKNZEWOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_709-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnl" ;
skos:prefLabel "propanil"@nl ;
vcs:vmmParameterId "231"^^xsd:int .
csc:GSDSWSVVBLHKDQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4583 ;
dbo:casNumber "83380-47-6" , "85344-55-4" , "82419-36-1" ;
dbo:formula "C18H20FN3O4" ;
dbo:inchi "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)" ;
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en ;
dbo:pubchem "4583"^^xsd:int ;
dbo:smiles "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O" ;
dbp:inchikey "InChIKey=GSDSWSVVBLHKDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ofxcne" ;
skos:prefLabel "ofloxacine"@nl .
csc:CHEMONTID_0001135
skos:narrower csc:VLPFTAMPNXLGLX-UHFFFAOYSA-N , csc:URAYPUMNDPQOKB-UHFFFAOYSA-N .
csc:CHEMONTID_0004111
skos:narrower csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N , csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N , csc:PMHURSZHKKJGBM-UHFFFAOYSA-N , csc:PFIADAMVCJPXSF-UHFFFAOYSA-N , csc:OHBQPCCCRFSCAX-UHFFFAOYSA-N , csc:HOERQTQCTISLFR-UHFFFAOYSA-N .
csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32154 ;
dbo:casNumber "66393-62-2" , "11097-12-4" , "23950-58-5" , "11097-11-3" ;
dbo:formula "C12H11Cl2NO" ;
dbo:inchi "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)" ;
dbo:iupacName "3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide"@en ;
dbo:pubchem "32154"^^xsd:int ;
dbo:smiles "CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=PHNUZKMIPFFYSO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003099 ;
skos:exactMatch wise:CAS_23950-58-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propAd" ;
skos:prefLabel "propyzamide"@nl ;
vcs:vmmParameterId "1036"^^xsd:int .
csc:LULLIKNODDLMDQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104734 ;
dbo:casNumber "22541-54-4" ;
dbo:formula "As+3" ;
dbo:inchi "InChI=1S/As/q+3" ;
dbo:iupacName "arsenic(+3) cation"@en ;
dbo:pubchem "104734"^^xsd:int ;
dbo:smiles "[As+3]" ;
dbp:inchikey "InChIKey=LULLIKNODDLMDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsIII" ;
skos:prefLabel "arseen (driewaardig)"@nl .
csc:CHEMONTID_0000534
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000534 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VYPSYNLAJGMNEJ-UHFFFAOYSA-N , csc:JKWMSGQKBLHBQQ-UHFFFAOYSA-N , csc:HJIQVKXMQOLFFS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000534" ;
skos:prefLabel "Metalloid oxides"@en .
csc:QAOWNCQODCNURD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'"@nl , "VLAR III (D3) 'zwavelzuur'"@nl ;
rdfs:seeAlso compound:1118 ;
dbo:casNumber "13537-15-0" , "7664-93-9" , "12772-98-4" , "140623-70-7" , "119540-51-1" , "127529-01-5" ;
dbo:formula "H2O4S" ;
dbo:inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" ;
dbo:iupacName "Sulfuric acid"@en ;
dbo:pubchem "1118"^^xsd:int ;
dbo:smiles "OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_008 ;
skos:altLabel "zwavelzuur (h2so4)"@nl , "zwavelzuur"@nl ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H2SO4" ;
skos:prefLabel "zwavelzuur (H2SO4)"@nl .
csc:CYTYCFOTNPOANT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'tetrachloorethyleen'"@nl , "VLAR II Art. 5.4.3.1.4 'perchloorethyleen'"@nl , " (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'"@nl ;
rdfs:seeAlso compound:31373 ;
dbo:casNumber "127-18-4" ;
dbo:formula "C2Cl4" ;
dbo:inchi "InChI=1S/C2Cl4/c3-1(4)2(5)6" ;
dbo:iupacName "1,1,2,2-Tetrachloroethene"@en ;
dbo:pubchem "31373"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=CYTYCFOTNPOANT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_II_002 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:altLabel "tetrachlooretheen"@nl , "per (perchloorethyleen)"@nl , "tetrachlooretheen (per)"@nl , "tetrachloorethyleen (per)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_127-18-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC2e" ;
skos:prefLabel "PER (perchloorethyleen)"@nl ;
vcs:vmmParameterId "382"^^xsd:int .
csc:CHEMONTID_0000051
skos:narrower csc:VEMKTZHHVJILDY-UHFFFAOYSA-N , csc:SPPWGCYEYAMHDT-UHFFFAOYSA-N , csc:RECUKUPTGUEGMW-UHFFFAOYSA-N , csc:MGSRCZKZVOBKFT-UHFFFAOYSA-N , csc:MBEBPYJMHLBHDJ-UHFFFAOYSA-N , csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N .
csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7260 ;
dbo:casNumber "95-79-4" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "5-Chloro-2-methylaniline"@en ;
dbo:pubchem "7260"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)N" ;
dbp:inchikey "InChIKey=WRZOMWDJOLIVQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2C1yAn" ;
skos:prefLabel "5-chloor-2-methylaniline"@nl .
csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17434 ;
dbo:casNumber "2595-54-2" ;
dbo:formula "C10H20NO5PS2" ;
dbo:inchi "InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3" ;
dbo:iupacName "ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate"@en ;
dbo:pubchem "17434"^^xsd:int ;
dbo:smiles "CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC" ;
dbp:inchikey "InChIKey=KLGMSAOQDHLCOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecbm" ;
skos:prefLabel "mecarbam"@nl .
csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10899 ;
dbo:casNumber "540-54-5" ;
dbo:formula "C3H7Cl" ;
dbo:inchi "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" ;
dbo:iupacName "1-CHLOROPROPANE"@en ;
dbo:pubchem "10899"^^xsd:int ;
dbo:smiles "CCCCl" ;
dbp:inchikey "InChIKey=SNMVRZFUUCLYTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC3a" ;
skos:prefLabel "1-chloorpropaan"@nl .
csc:JRMUNVKIHCOMHV-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74236 ;
dbo:casNumber "65129-09-1" , "1643-19-2" , "65129-13-7" ;
dbo:formula "C16H36BrN" ;
dbo:inchi "InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrabutylazanium bromide"@en ;
dbo:pubchem "74236"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]" ;
dbp:inchikey "InChIKey=JRMUNVKIHCOMHV-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4Br" ;
skos:prefLabel "tetrabutylammonium bromide"@nl .
csc:XJIXIEBYTLLFCV-FAISOMDOSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436139 ;
dbo:casNumber "6211-15-0" , "92004-19-8" , "57-27-2" , "66591-53-5" ;
dbo:formula "C17H31NO12S" ;
dbo:inchi "InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1" ;
dbo:iupacName "(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate"@en ;
dbo:pubchem "6436139"^^xsd:int ;
dbo:smiles "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=XJIXIEBYTLLFCV-FAISOMDOSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "morfne" ;
skos:prefLabel "morfine"@nl .
csc:WSSMOXHYUFMBLS-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26063 ;
dbo:casNumber "7758-94-3" , "13478-10-9" ;
dbo:formula "Cl2FeH8O4" ;
dbo:inchi "InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2" ;
dbo:iupacName "iron(2+);dichloride;tetrahydrate"@en ;
dbo:pubchem "26063"^^xsd:int ;
dbo:smiles "O.O.O.O.[Cl-].[Cl-].[Fe+2]" ;
dbp:inchikey "InChIKey=WSSMOXHYUFMBLS-UHFFFAOYSA-L" ;
skos:altLabel "ijzer(II)chloride"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeCl2" ;
skos:prefLabel "ijzer(ii)chloride"@nl .
csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9385 ;
dbo:casNumber "306-83-2" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "2,2-DICHLORO-1,1,1-TRIFLUOROETHANE"@en ;
dbo:pubchem "9385"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(Cl)Cl" ;
dbp:inchikey "InChIKey=OHMHBGPWCHTMQE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123" ;
skos:prefLabel "2,2-dichloor-1,1,1-trifluorethaan"@nl .
csc:NIJJYAXOARWZEE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3121 ;
dbo:casNumber "99-66-1" , "117039-65-3" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" ;
dbo:iupacName "2-Propylpentanoic acid"@en ;
dbo:pubchem "3121"^^xsd:int ;
dbo:smiles "CCCC(CCC)C(=O)O" ;
dbp:inchikey "InChIKey=NIJJYAXOARWZEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valpinzr" ;
skos:prefLabel "valproinezuur"@nl .
csc:JCVAWLVWQDNEGS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:190009 ;
dbo:casNumber "63665-16-7" ;
dbo:formula "C10H25NO5S" ;
dbo:inchi "InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2" ;
dbo:iupacName "1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate"@en ;
dbo:pubchem "190009"^^xsd:int ;
dbo:smiles "CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O" ;
dbp:inchikey "InChIKey=JCVAWLVWQDNEGS-UHFFFAOYSA-N" ;
skos:altLabel "sulfinol D"@nl ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfnD" ;
skos:prefLabel "sulfinol d"@nl .
csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7395 ;
dbo:casNumber "98-57-7" ;
dbo:formula "C7H7ClO2S" ;
dbo:inchi "InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3" ;
dbo:iupacName "1-chloro-4-methylsulfonylbenzene"@en ;
dbo:pubchem "7395"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=LMCOQDVJBWVNNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl4C1ysfnBe" ;
skos:prefLabel "1-chloor-4-(methylsulfonyl)benzeen"@nl .
csc:MLKCGVHIFJBRCD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86222 ;
dbo:casNumber "128639-02-1" ;
dbo:formula "C15H14Cl2F3N3O3" ;
dbo:inchi "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" ;
dbo:iupacName "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate"@en ;
dbo:pubchem "86222"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" ;
dbp:inchikey "InChIKey=MLKCGVHIFJBRCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carftznC2y" ;
skos:prefLabel "carfentrazon-ethyl"@nl .
csc:CHEMONTID_0002341
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002341 ;
skos:definition "Aromatic compounds containing an ether group substituted with a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BHNQPLPANNDEGL-UHFFFAOYSA-N , csc:QCDWFXQBSFUVSP-UHFFFAOYSA-N , csc:WPYCRFCQABTEKC-UHFFFAOYSA-N , csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N , csc:BAZVSMNPJJMILC-OLZOCXBDSA-N , csc:XCSGHNKDXGYELG-UHFFFAOYSA-N , csc:WNMLTOIDDCEBNY-UHFFFAOYSA-N , csc:VWGNFIQXBYRDCH-UHFFFAOYSA-N , csc:OWEGWHBOCFMBLP-UHFFFAOYSA-N , csc:ZROGCHDPRZRKTI-UHFFFAOYSA-N , csc:WURBVZBTWMNKQT-UHFFFAOYSA-N , csc:HMIBKHHNXANVHR-UHFFFAOYSA-N , csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N , csc:LLWADFLAOKUBDR-UHFFFAOYSA-N , csc:LOJHHQNEBFCTQK-UHFFFAOYSA-N , csc:BLXVTZPGEOGTGG-UHFFFAOYSA-N , csc:PUQIRTNPJRFRCZ-UHFFFAOYSA-N , csc:ISRUGXGCCGIOQO-UHFFFAOYSA-N , csc:BAZVSMNPJJMILC-STQMWFEESA-N , csc:BAZVSMNPJJMILC-UHFFFAOYSA-N , csc:RRLGETDMEIMLQU-UHFFFAOYSA-N , csc:YATIGPZCMOYEGE-UHFFFAOYSA-N , csc:OFRYBPCSEMMZHR-UHFFFAOYSA-N , csc:YASAKCUCGLMORW-UHFFFAOYSA-N , csc:NJPPVKZQTLUDBO-UHFFFAOYSA-N , csc:ZOTBXTZVPHCKPN-HTXNQAPBSA-N ;
skos:notation "CHEMONTID:0002341" ;
skos:prefLabel "Phenol ethers"@en .
csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39507 ;
dbo:casNumber "49697-38-3" ;
dbo:formula "C24H34O3" ;
dbo:inchi "InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1" ;
dbo:iupacName "(10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "39507"^^xsd:int ;
dbo:smiles "CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C" ;
dbp:inchikey "InChIKey=QTTRZHGPGKRAFB-PAIWTFDUSA-N" ;
skos:broader csc:CHEMONTID_0003058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rimoln" ;
skos:prefLabel "rimexolon"@nl .
csc:QRUDEWIWKLJBPS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7220 ;
dbo:casNumber "94160-69-7" , "95-14-7" , "25377-81-5" , "28880-01-5" , "116421-31-9" , "70644-74-5" , "27556-51-0" , "273-02-9" ;
dbo:formula "C6H5N3" ;
dbo:inchi "InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)" ;
dbo:iupacName "2H-Benzotriazole"@en ;
dbo:pubchem "7220"^^xsd:int ;
dbo:smiles "C1=CC2=NNN=C2C=C1" ;
dbp:inchikey "InChIKey=QRUDEWIWKLJBPS-UHFFFAOYSA-N" ;
skos:altLabel "benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:exactMatch wise:CAS_95-14-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123benztazl" ;
skos:prefLabel "1,2,3-benzotriazool"@nl ;
vcs:vmmParameterId "2147"^^xsd:int .
csc:CHEMONTID_0001114
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001114 ;
skos:definition "Organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CZRWOPRGDPUSDE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001114" ;
skos:prefLabel "Beta-keto acids and derivatives"@en .
csc:CHEMONTID_0004084
skos:narrower csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N .
csc:OWZREIFADZCYQD-DXCJPMOASA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47354 ;
dbo:casNumber "64363-96-8" ;
dbo:formula "C22H19Br2NO3" ;
dbo:inchi "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "47354"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C" ;
dbp:inchikey "InChIKey=OWZREIFADZCYQD-DXCJPMOASA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tdmtn" ;
skos:prefLabel "trans-deltamethrin"@nl .
csc:KLOZZZNFJYMTNE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:98564 ;
dbo:casNumber "66073-54-9" ;
dbo:formula "C7H5ClFNO" ;
dbo:inchi "InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2-Chloro-6-fluorobenzamide"@en ;
dbo:pubchem "98564"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)N)F" ;
dbp:inchikey "InChIKey=KLOZZZNFJYMTNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6FBenAd" ;
skos:prefLabel "2-chloor-6-fluorbenzamide"@nl .
csc:PHTQWCKDNZKARW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31260 ;
dbo:casNumber "6423-06-9" , "123-51-3" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "3-Methylbutan-1-ol"@en ;
dbo:pubchem "31260"^^xsd:int ;
dbo:smiles "CC(C)CCO" ;
dbp:inchikey "InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y1C4ol" ;
skos:prefLabel "3-methylbutan-1-ol"@nl .
csc:KFSLWBXXFJQRDL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6585 ;
dbo:casNumber "89370-71-8" , "79-21-0" ;
dbo:formula "C2H4O3" ;
dbo:inchi "InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3" ;
dbo:iupacName "Ethaneperoxoic acid"@en ;
dbo:pubchem "6585"^^xsd:int ;
dbo:smiles "CC(=O)OO" ;
dbp:inchikey "InChIKey=KFSLWBXXFJQRDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002446 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perOxHAc" ;
skos:prefLabel "peroxyazijnzuur"@nl .
csc:PRLINSMUYJWPBL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7380 ;
dbo:casNumber "98-28-2" ;
dbo:formula "C10H13ClO" ;
dbo:inchi "InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3" ;
dbo:iupacName "4-tert-Butyl-2-chlorophenol"@en ;
dbo:pubchem "7380"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)Cl" ;
dbp:inchikey "InChIKey=PRLINSMUYJWPBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-chloor-4-tert-butylfenol"@nl .
csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:4685 ;
dbo:casNumber "106-46-7" , "73513-56-1" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" ;
dbo:iupacName "1,4-Dichlorobenzene"@en ;
dbo:pubchem "4685"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1Cl)Cl" ;
dbp:inchikey "InChIKey=OCJBOOLMMGQPQU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,4-dichloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_106-46-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DClBen" ;
skos:prefLabel "1,4-dichloorbenzeen "@nl ;
vcs:vmmParameterId "328"^^xsd:int .
csc:CKBRQZNRCSJHFT-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:167472 ;
dbo:casNumber "15840-03-6" ;
dbo:formula "Es" ;
dbo:inchi "InChI=1S/Es/i1+2" ;
dbo:iupacName "einsteinium-254"@en ;
dbo:pubchem "167472"^^xsd:int ;
dbo:smiles "[Es]" ;
dbp:inchikey "InChIKey=CKBRQZNRCSJHFT-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Es254" ;
skos:prefLabel "einsteinium 254"@nl .
csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2328 ;
dbo:casNumber "12705-05-4" , "25057-89-0" , "58856-82-9" , "21723-40-0" ;
dbo:formula "C10H12N2O3S" ;
dbo:inchi "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" ;
dbo:iupacName "2,2-dioxo-3-propan-2-yl-1H-benzo[d][1,2,6]thiadiazin-4-one"@en ;
dbo:pubchem "2328"^^xsd:int ;
dbo:smiles "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" ;
dbp:inchikey "InChIKey=ZOMSMJKLGFBRBS-UHFFFAOYSA-N" ;
skos:altLabel "bentazone"@nl ;
skos:broader csc:CHEMONTID_0002448 ;
skos:exactMatch wise:CAS_25057-89-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bentzn" ;
skos:prefLabel "bentazon"@nl ;
vcs:vmmParameterId "456"^^xsd:int .
csc:UUIQMZJEGPQKFD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12180 ;
dbo:casNumber "623-42-7" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" ;
dbo:iupacName "Methyl butanoate"@en ;
dbo:pubchem "12180"^^xsd:int ;
dbo:smiles "CCCC(=O)OC" ;
dbp:inchikey "InChIKey=UUIQMZJEGPQKFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC4yat" ;
skos:prefLabel "methylbutylaat"@nl .
csc:YGYAWVDWMABLBF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6371 ;
dbo:casNumber "75-44-5" ;
dbo:formula "CCl2O" ;
dbo:inchi "InChI=1S/CCl2O/c2-1(3)4" ;
dbo:iupacName "Carbonyl dichloride"@en ;
dbo:pubchem "6371"^^xsd:int ;
dbo:smiles "C(=O)(Cl)Cl" ;
dbp:inchikey "InChIKey=YGYAWVDWMABLBF-UHFFFAOYSA-N" ;
skos:altLabel "fosgeen"@nl ;
skos:broader csc:CHEMONTID_0000550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosgn" ;
skos:prefLabel "fosgeen "@nl .
csc:CHEMONTID_0004631
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004631 ;
skos:definition "Organosulfur compounds containing a thioether group that is substituted by an aryl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RESBOJMQOGJOMW-UHFFFAOYSA-N , csc:ZHLKXBJTJHRTTE-UHFFFAOYSA-N , csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N , csc:OUCCVXVYGFBXSV-UHFFFAOYSA-N , csc:LGZZJTIUEJNNKV-UHFFFAOYSA-N , csc:NKNFWVNSBIXGLL-UHFFFAOYSA-N , csc:ZCNQYNHDVRPZIH-UHFFFAOYSA-N , csc:VEDTXTNSFWUXGQ-UHFFFAOYSA-N , csc:MIWRSUQXSCLDNV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004631" ;
skos:prefLabel "Aryl thioethers"@en .
csc:BWLUMTFWVZZZND-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7656 ;
dbo:casNumber "306991-23-1" , "103-49-1" ;
dbo:formula "C14H15N" ;
dbo:inchi "InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2" ;
dbo:iupacName "1-phenyl-N-(phenylmethyl)methanamine"@en ;
dbo:pubchem "7656"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CNCC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=BWLUMTFWVZZZND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DbenzAe" ;
skos:prefLabel "dibenzylamine"@nl .
csc:CHEMONTID_0000428
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000428 ;
skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N , csc:OYPRJOBELJOOCE-RKEGKUSMSA-N , csc:OYPRJOBELJOOCE-UHFFFAOYSA-N , csc:HCWPIIXVSYCSAN-OIOBTWANSA-N , csc:HCWPIIXVSYCSAN-YPZZEJLDSA-N , csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N , csc:HCWPIIXVSYCSAN-BJUDXGSMSA-N , csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N , csc:HCWPIIXVSYCSAN-NJFSPNSNSA-N , csc:HCWPIIXVSYCSAN-UHFFFAOYSA-N , csc:DSAJWYNOEDNPEQ-AHCXROLUSA-N , csc:CIOAGBVUUVVLOB-OIOBTWANSA-N , csc:DSAJWYNOEDNPEQ-AKLPVKDBSA-N , csc:CIOAGBVUUVVLOB-NJFSPNSNSA-N , csc:CIOAGBVUUVVLOB-OUBTZVSYSA-N , csc:ATBAMAFKBVZNFJ-YPZZEJLDSA-N , csc:BHPQYMZQTOCNFJ-UHFFFAOYSA-N , csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000428" ;
skos:prefLabel "Homogeneous alkaline earth metal compounds"@en .
csc:WAPNOHKVXSQRPX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7409 ;
dbo:casNumber "98-85-1" , "1517-69-7" , "13323-81-4" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" ;
dbo:iupacName "1-Phenylethanol"@en ;
dbo:pubchem "7409"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)O" ;
dbp:inchikey "InChIKey=WAPNOHKVXSQRPX-UHFFFAOYSA-N" ;
skos:altLabel "(r)-1-fenylethanol"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "R1FyC2ol" ;
skos:prefLabel "(R)-1-fenylethanol"@nl .
csc:IYXMNTLBLQNMLM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12205 ;
dbo:casNumber "624-18-0" ;
dbo:formula "C6H10Cl2N2" ;
dbo:inchi "InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H" ;
dbo:iupacName "benzene-1,4-diamine dihydrochloride"@en ;
dbo:pubchem "12205"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)N.Cl.Cl" ;
dbp:inchikey "InChIKey=IYXMNTLBLQNMLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DAoBenDHCl" ;
skos:prefLabel "1,4-diaminobenzeen dihydrochloride"@nl .
csc:GFZPUWKGPNHWHD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:109968 ;
dbo:casNumber "68298-12-4" ;
dbo:formula "C5H4F9NO2S" ;
dbo:inchi "InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3" ;
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide"@en ;
dbo:pubchem "109968"^^xsd:int ;
dbo:smiles "CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=GFZPUWKGPNHWHD-UHFFFAOYSA-N" ;
skos:altLabel "n-methylperfluor-n-butaansulfonamide (mepfbsa)"@nl , "n-methylperfluor-n-butaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0001585 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC1yPFC4asfA" ;
skos:prefLabel "N-methylperfluorbutaansulfonamide"@nl .
csc:CHEMONTID_0002320
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002320 ;
skos:definition "Aromatic compounds containing benzene substituted by a hydroxyl group and a halogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002320" ;
skos:prefLabel "Halophenols"@en .
csc:ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:323 ;
dbo:casNumber "91-64-5" ;
dbo:formula "C9H6O2" ;
dbo:inchi "InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H" ;
dbo:iupacName "chromen-2-one"@en ;
dbo:pubchem "323"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC(=O)O2" ;
dbp:inchikey "InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "coumrn" ;
skos:prefLabel "coumarin"@nl .
csc:QPQKUYVSJWQSDY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6051 ;
dbo:casNumber "60-09-3" , "81691-68-1" , "25548-34-9" ;
dbo:formula "C12H11N3" ;
dbo:inchi "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2" ;
dbo:iupacName "4-phenyldiazenylaniline"@en ;
dbo:pubchem "6051"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=QPQKUYVSJWQSDY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4AoazBen" ;
skos:prefLabel "4-aminoazobenzeen"@nl .
csc:ZZMVLMVFYMGSMY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13101 ;
dbo:casNumber "76600-84-5" , "793-24-8" , "50809-58-0" ;
dbo:formula "C18H24N2" ;
dbo:inchi "InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3" ;
dbo:iupacName "N-(4-methylpentan-2-yl)-N'-phenylbenzene-1,4-diamine"@en ;
dbo:pubchem "13101"^^xsd:int ;
dbo:smiles "CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=ZZMVLMVFYMGSMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yC4yAoDF" ;
skos:prefLabel "4-(dimethylbutylamino)-difenylamine"@nl .
csc:JEDYYFXHPAIBGR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11826859 ;
dbo:casNumber "134605-64-4" ;
dbo:formula "C20H18ClF3N2O6" ;
dbo:inchi "InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3" ;
dbo:iupacName "(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate"@en ;
dbo:pubchem "11826859"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=JEDYYFXHPAIBGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butfncl" ;
skos:prefLabel "butafenacil"@nl .
csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2519 ;
dbo:casNumber "95789-13-2" , "58-08-2" , "71701-02-5" ;
dbo:formula "C8H10N4O2" ;
dbo:inchi "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" ;
dbo:iupacName "1,3,7-trimethylpurine-2,6-dione"@en ;
dbo:pubchem "2519"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" ;
dbp:inchikey "InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:exactMatch wise:CAS_58-08-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "caffine" ;
skos:prefLabel "caffeine"@nl ;
vcs:vmmParameterId "867"^^xsd:int .
csc:CHEMONTID_0000486
skos:narrower csc:NHZLNPMOSADWGC-UHFFFAOYSA-N , csc:JYQUHIFYBATCCY-UHFFFAOYSA-N , csc:FBQQHUGEACOBDN-UHFFFAOYSA-N , csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N .
csc:OIAGWXKSCXPNNZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65743 ;
dbo:casNumber "83-15-8" ;
dbo:formula "C13H15N3O2" ;
dbo:inchi "InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)" ;
dbo:iupacName "N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide"@en ;
dbo:pubchem "65743"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C" ;
dbp:inchikey "InChIKey=OIAGWXKSCXPNNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nact4Aoatprn" ;
skos:prefLabel "N-acetyl-4-aminoantipyrine"@nl .
csc:CHEMONTID_0002861
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002861 ;
skos:definition "Vinyl halides in which a fluorine atom is bonded to an sp2-hybridised carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LGPPATCNSOSOQH-UHFFFAOYSA-N , csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N , csc:HCDGVLDPFQMKDK-UHFFFAOYSA-N , csc:UUAGAQFQZIEFAH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002861" ;
skos:prefLabel "Vinyl fluorides"@en .
csc:YUVKUEAFAVKILW-SECBINFHSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91733 ;
dbo:casNumber "83066-88-0" ;
dbo:formula "C15H12F3NO4" ;
dbo:inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1" ;
dbo:iupacName "(2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "91733"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=YUVKUEAFAVKILW-SECBINFHSA-N" ;
skos:altLabel "fluazifop-p"@nl ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfpP" ;
skos:prefLabel "fluazifop-P"@nl .
csc:ZIBCESDMUREVIU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:115122 ;
dbo:casNumber "8065-62-1" ;
dbo:formula "C10H26O6P2S4" ;
dbo:inchi "InChI=1S/2C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3;1-6-9(10,7-2)8-4-5-11-3/h2*4-5H2,1-3H3" ;
dbo:iupacName "dimethoxy-(2-methylsulfanylethoxy)-sulfanylidenephosphorane; 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane"@en ;
dbo:pubchem "115122"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCCSC.COP(=S)(OC)OCCSC" ;
dbp:inchikey "InChIKey=ZIBCESDMUREVIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demfon" ;
skos:prefLabel "demefion"@nl .
csc:CZZZABOKJQXEBO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7250 ;
dbo:casNumber "95-68-1" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,4-Dimethylaniline"@en ;
dbo:pubchem "7250"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)C" ;
dbp:inchikey "InChIKey=CZZZABOKJQXEBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24xyldne" ;
skos:prefLabel "2,4-xylidine"@nl .
csc:CHEMONTID_0001151
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001151 ;
skos:definition "Compounds containing an indane ring bearing a ketone group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QNXSIUBBGPHDDE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001151" ;
skos:prefLabel "Indanones"@en .
csc:AXGUBXVWZBFQGA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22094 ;
dbo:casNumber "5836-10-2" ;
dbo:formula "C17H16Cl2O3" ;
dbo:inchi "InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3" ;
dbo:iupacName "propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "22094"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=AXGUBXVWZBFQGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC3yat" ;
skos:prefLabel "chloorpropylaat"@nl .
csc:HPYNBECUCCGGPA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92430 ;
dbo:casNumber "105024-66-6" ;
dbo:formula "C25H29FO2Si" ;
dbo:inchi "InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3" ;
dbo:iupacName "(4-ethoxyphenyl)-[3-[4-fluoro-3-(phenoxy)phenyl]propyl]-dimethylsilane"@en ;
dbo:pubchem "92430"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=HPYNBECUCCGGPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "silfofn" ;
skos:prefLabel "silafluofen"@nl .
csc:RHPUJHQBPORFGV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14855 ;
dbo:casNumber "1570-64-5" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3" ;
dbo:iupacName "4-Chloro-2-methylphenol"@en ;
dbo:pubchem "14855"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)O" ;
dbp:inchikey "InChIKey=RHPUJHQBPORFGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_1570-64-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2C1yFol" ;
skos:prefLabel "4-chloor-2-methylfenol"@nl ;
vcs:vmmParameterId "360"^^xsd:int .
csc:CHEMONTID_0001549
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001549 ;
skos:definition "Compounds containing a chain of two isoprene units."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LHHGDZSESBACKH-UHFFFAOYSA-N , csc:HCTWZIFNBBCVGM-UHFFFAOYSA-N , csc:IZHZFAQWVKBTSL-UHFFFAOYSA-N , csc:BJLRAKFWOUAROE-UHFFFAOYSA-N , csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N , csc:GVYLCNUFSHDAAW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001549" ;
skos:prefLabel "Monoterpenoids"@en .
csc:CHEMONTID_0000550
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000550 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YGYAWVDWMABLBF-UHFFFAOYSA-N , csc:OBTWBSRJZRCYQV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000550" ;
skos:prefLabel "Halogen oxides"@en .
csc:CHEMONTID_0004525
skos:narrower csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N , csc:SODPIMGUZLOIPE-UHFFFAOYSA-N , csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N , csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N .
csc:IMFACGCPASFAPR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7622 ;
dbo:casNumber "102-82-9" , "168153-19-3" ;
dbo:formula "C12H27N" ;
dbo:inchi "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "N,N-dibutylbutan-1-amine"@en ;
dbo:pubchem "7622"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)CCCC" ;
dbp:inchikey "InChIKey=IMFACGCPASFAPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yAe" ;
skos:prefLabel "tributylamine"@nl .
csc:MXWAGQASUDSFBG-RVDMUPIBSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9954185 ;
dbo:casNumber "229977-93-9" ;
dbo:formula "C20H21F3N2O5" ;
dbo:inchi "InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+" ;
dbo:iupacName "methyl (E)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate"@en ;
dbo:pubchem "9954185"^^xsd:int ;
dbo:smiles "CC(C)OC1=NC(=CC(=N1)OCC2=CC=CC=C2C(=COC)C(=O)OC)C(F)(F)F" ;
dbp:inchikey "InChIKey=MXWAGQASUDSFBG-RVDMUPIBSA-N" ;
skos:broader csc:CHEMONTID_0004203 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluacprm" ;
skos:prefLabel "fluacrypyrim"@nl .
csc:ZKHOYAKAFALNQD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41518 ;
dbo:casNumber "55682-92-3" ;
dbo:formula "C29H58O2" ;
dbo:inchi "InChI=1S/C29H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h3-28H2,1-2H3" ;
dbo:iupacName "METHYL OCTACOSANOATE"@en ;
dbo:pubchem "41518"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=ZKHOYAKAFALNQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC28aoat" ;
skos:prefLabel "methyloctacosanoaat"@nl .
csc:CHEMONTID_0003924
skos:narrower csc:ZZMVLMVFYMGSMY-UHFFFAOYSA-N , csc:XCEYKKJMLOFDSS-UHFFFAOYSA-N , csc:VSHTWPWTCXQLQN-UHFFFAOYSA-N , csc:OJGMBLNIHDZDGS-UHFFFAOYSA-N , csc:MWGATWIBSKHFMR-UHFFFAOYSA-N , csc:CDZOGLJOFWFVOZ-UHFFFAOYSA-N , csc:AFBPFSWMIHJQDM-UHFFFAOYSA-N .
csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:222548 ;
dbo:casNumber "465-73-6" ;
dbo:formula "C12H8Cl6" ;
dbo:inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+" ;
dbo:iupacName "(1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene"@en ;
dbo:pubchem "222548"^^xsd:int ;
dbo:smiles "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_465-73-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "idn" ;
skos:prefLabel "isodrin"@nl ;
vcs:vmmParameterId "251"^^xsd:int .
csc:ZPQOPVIELGIULI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10943 ;
dbo:casNumber "63697-17-6" , "541-73-1" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" ;
dbo:iupacName "1,3-Dichlorobenzene"@en ;
dbo:pubchem "10943"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=ZPQOPVIELGIULI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_541-73-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DClBen" ;
skos:prefLabel "1,3-dichloorbenzeen"@nl ;
vcs:vmmParameterId "324"^^xsd:int .
csc:WYMSBXTXOHUIGT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9395 ;
dbo:casNumber "311-45-5" ;
dbo:formula "C10H14NO6P" ;
dbo:inchi "InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethyl (4-nitrophenyl) phosphate"@en ;
dbo:pubchem "9395"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=WYMSBXTXOHUIGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroonC2y" ;
skos:prefLabel "paraoxon-ethyl"@nl .
csc:OKIZCWYLBDKLSU-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6379 ;
dbo:casNumber "75-57-0" , "79098-37-6" , "51-92-3" ;
dbo:formula "C4H12ClN" ;
dbo:inchi "InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetramethylazanium chloride"@en ;
dbo:pubchem "6379"^^xsd:int ;
dbo:smiles "C[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "InChIKey=OKIZCWYLBDKLSU-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yNH4Cl" ;
skos:prefLabel "tetramethylammoniumchloride"@nl .
csc:NGBBVGZWCFBOGO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1614 ;
dbo:casNumber "4764-17-4" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)propan-2-amine"@en ;
dbo:pubchem "1614"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)N" ;
dbp:inchikey "InChIKey=NGBBVGZWCFBOGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxafA" ;
skos:prefLabel "3,4-methyleendioxyamfetamine"@nl .
csc:NHTMVDHEPJAVLT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10907 ;
dbo:casNumber "31921-36-5" , "540-84-1" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" ;
dbo:iupacName "2,2,4-Trimethylpentane"@en ;
dbo:pubchem "10907"^^xsd:int ;
dbo:smiles "CC(C)CC(C)(C)C" ;
dbp:inchikey "InChIKey=NHTMVDHEPJAVLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1yC5a" ;
skos:prefLabel "2,2,4-trimethylpentaan"@nl .
csc:RZPAKFUAFGMUPI-QESOVKLGSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:72493 ;
dbo:casNumber "3922-90-5" ;
dbo:formula "C35H61NO12" ;
dbo:inchi "InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1" ;
dbo:iupacName "(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione"@en ;
dbo:pubchem "72493"^^xsd:int ;
dbo:smiles "CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C" ;
dbp:inchikey "InChIKey=RZPAKFUAFGMUPI-QESOVKLGSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oladmcn" ;
skos:prefLabel "oleandomycin"@nl .
csc:SYQBFIAQOQZEGI-FTXFMUIASA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167423 ;
dbo:casNumber "15766-50-4" ;
dbo:formula "Os" ;
dbo:inchi "InChI=1S/Os/i1-5" ;
dbo:iupacName "osmium-185"@en ;
dbo:pubchem "167423"^^xsd:int ;
dbo:smiles "[Os]" ;
dbp:inchikey "InChIKey=SYQBFIAQOQZEGI-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Os185" ;
skos:prefLabel "osmium 185"@nl .
csc:CHEMONTID_0002840
skos:narrower csc:ZOLLIQAKMYWTBR-UDIJVJLMSA-N .
csc:CSWBSLXBXRFNST-MQQKCMAXSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1787910 ;
dbo:casNumber "76600-88-9" , "33956-49-9" ;
dbo:formula "C12H22O" ;
dbo:inchi "InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+" ;
dbo:iupacName "['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol']"@en ;
dbo:pubchem "1787910"^^xsd:int ;
dbo:smiles "CC=CC=CCCCCCCCO" ;
dbp:inchikey "InChIKey=CSWBSLXBXRFNST-MQQKCMAXSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "codlmn" ;
skos:prefLabel "codlemon"@nl .
csc:NPPQSCRMBWNHMW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4064 ;
dbo:casNumber "57-53-4" ;
dbo:formula "C9H18N2O4" ;
dbo:inchi "InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)" ;
dbo:iupacName "[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate"@en ;
dbo:pubchem "4064"^^xsd:int ;
dbo:smiles "CCCC(C)(COC(=O)N)COC(=O)N" ;
dbp:inchikey "InChIKey=NPPQSCRMBWNHMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepbmt" ;
skos:prefLabel "meprobamaat"@nl .
csc:CXBMCYHAMVGWJQ-CABCVRRESA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24365 ;
dbo:casNumber "52556-74-8" , "7696-12-0" , "5284-41-3" , "28643-67-6" , "1166-46-7" ;
dbo:formula "C19H25NO4" ;
dbo:inchi "InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1" ;
dbo:iupacName "(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "24365"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C" ;
dbp:inchikey "InChIKey=CXBMCYHAMVGWJQ-CABCVRRESA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4mtn" ;
skos:prefLabel "tetramethrin"@nl .
csc:ZSIAUFGUXNUGDI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8103 ;
dbo:casNumber "220713-27-9" , "111-27-3" , "25917-35-5" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "HEXAN-1-OL"@en ;
dbo:pubchem "8103"^^xsd:int ;
dbo:smiles "CCCCCCO" ;
dbp:inchikey "InChIKey=ZSIAUFGUXNUGDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C6Ol" ;
skos:prefLabel "1-hexanol"@nl .
csc:CEBKHWWANWSNTI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8258 ;
dbo:casNumber "115-19-5" , "140705-79-9" , "67539-62-2" ;
dbo:formula "C5H8O" ;
dbo:inchi "InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3" ;
dbo:iupacName "2-Methylbut-3-yn-2-ol"@en ;
dbo:pubchem "8258"^^xsd:int ;
dbo:smiles "CC(C)(C#C)O" ;
dbp:inchikey "InChIKey=CEBKHWWANWSNTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001373 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y3C4yn2ol" ;
skos:prefLabel "2-methyl-3-butyn-2-ol"@nl .
csc:NYPJDWWKZLNGGM-BJKOFHAPSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5361514 ;
dbo:casNumber "67890-40-8" , "66230-04-4" , "72650-28-3" ;
dbo:formula "C25H22ClNO3" ;
dbo:inchi "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1" ;
dbo:iupacName "[(R)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate"@en ;
dbo:pubchem "5361514"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=NYPJDWWKZLNGGM-BJKOFHAPSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "esfvlrt" ;
skos:prefLabel "esfenvaleraat"@nl .
csc:CHEMONTID_0004504
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004504 ;
skos:definition "Organic nitrogen compounds that contain the cyano (C#N) group. The group can be present either in the anionic or covalently bond form."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004504" ;
skos:prefLabel "Organic cyanides"@en .
csc:BIWJNBZANLAXMG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5993 ;
dbo:casNumber "53637-13-1" , "28181-89-7" , "52917-96-1" , "5103-71-9" , "57-74-9" , "39400-80-1" , "22212-52-8" , "17436-70-3" , "28140-46-7" , "67672-92-8" , "12789-03-6" , "33442-85-2" , "5103-74-2" , "52002-35-4" , "26703-86-6" ;
dbo:formula "C10H6Cl8" ;
dbo:inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2" ;
dbo:iupacName "1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "5993"^^xsd:int ;
dbo:smiles "C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BIWJNBZANLAXMG-UHFFFAOYSA-N" ;
skos:altLabel "cis-chloordaan trans-chloordaan"@nl , "trans-chloordaan"@nl , "cis-chloordaan"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_5103-71-9 , wise:CAS_5103-74-2 , wise:CAS_57-74-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cCldn" , "tCldn" , "Cldn" ;
skos:prefLabel "chloordaan"@nl ;
vcs:vmmParameterId "533"^^xsd:int , "532"^^xsd:int , "233"^^xsd:int .
csc:QHMGJGNTMQDRQA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11008 ;
dbo:casNumber "544-85-4" ;
dbo:formula "C32H66" ;
dbo:inchi "InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3" ;
dbo:iupacName "DOTRIACONTANE"@en ;
dbo:pubchem "11008"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=QHMGJGNTMQDRQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C32a" ;
skos:prefLabel "dotriacontaan"@nl .
csc:BLFLLBZGZJTVJG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2337 ;
dbo:casNumber "71123-91-6" , "94-09-7" ;
dbo:formula "C9H11NO2" ;
dbo:inchi "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3" ;
dbo:iupacName "Ethyl 4-aminobenzoate"@en ;
dbo:pubchem "2337"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=BLFLLBZGZJTVJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzcine" ;
skos:prefLabel "benzocaine"@nl .
csc:DDBREPKUVSBGFI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4763 ;
dbo:casNumber "50-06-6" , "46755-67-3" , "11097-06-6" ;
dbo:formula "C12H12N2O3" ;
dbo:inchi "InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)" ;
dbo:iupacName "5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "4763"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DDBREPKUVSBGFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbbtl" ;
skos:prefLabel "fenobarbital"@nl .
csc:LQDARGUHUSPFNL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80277 ;
dbo:casNumber "112281-77-3" ;
dbo:formula "C13H11Cl2F4N3O" ;
dbo:inchi "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole"@en ;
dbo:pubchem "80277"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" ;
dbp:inchikey "InChIKey=LQDARGUHUSPFNL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4cnzl" ;
skos:prefLabel "tetraconazool"@nl .
csc:YNAVUWVOSKDBBP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8083 ;
dbo:casNumber "147366-31-2" , "99108-56-2" , "61791-40-0" , "110-91-8" , "88542-81-8" , "96122-95-1" ;
dbo:formula "C4H9NO" ;
dbo:inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" ;
dbo:iupacName "Morpholine"@en ;
dbo:pubchem "8083"^^xsd:int ;
dbo:smiles "C1COCCN1" ;
dbp:inchikey "InChIKey=YNAVUWVOSKDBBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "morflne" ;
skos:prefLabel "morfoline"@nl .
csc:VIDRYROWYFWGSY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66245 ;
dbo:casNumber "959-24-0" ;
dbo:formula "C12H21ClN2O3S" ;
dbo:inchi "InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H" ;
dbo:iupacName "N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride"@en ;
dbo:pubchem "66245"^^xsd:int ;
dbo:smiles "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl" ;
dbp:inchikey "InChIKey=VIDRYROWYFWGSY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sotalol, waterstofchloride"@nl .
csc:BXNANOICGRISHX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2871 ;
dbo:casNumber "56-72-4" ;
dbo:formula "C14H16ClO5PS" ;
dbo:inchi "InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one"@en ;
dbo:pubchem "2871"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C" ;
dbp:inchikey "InChIKey=BXNANOICGRISHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:exactMatch wise:CAS_56-72-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumfs" ;
skos:prefLabel "cumafos"@nl ;
vcs:vmmParameterId "486"^^xsd:int .
csc:CHEMONTID_0000444
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000444 ;
skos:definition "Inorganic halogenic compounds in which the heaviest metal atom is a post-transition metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PGCGUUGEUBFBPP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000444" ;
skos:prefLabel "Post-transition metal salts"@en .
csc:ZMQAAUBTXCXRIC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5144 ;
dbo:casNumber "94-59-7" , "1406-55-9" , "8022-92-2" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2" ;
dbo:iupacName "5-prop-2-enyl-1,3-benzodioxole"@en ;
dbo:pubchem "5144"^^xsd:int ;
dbo:smiles "C=CCC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "InChIKey=ZMQAAUBTXCXRIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "safl" ;
skos:prefLabel "safrol"@nl .
csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:51130 ;
dbo:casNumber "70648-26-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H" ;
dbo:iupacName "1,2,3,4,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "51130"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LVYBAQIVPKCOEE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,4,7,8-hexachloordibenzofuraan"@nl , "1,2,3,4,7,8-hexachloordibenzofuran"@nl , "1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_70648-26-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF118" ;
skos:prefLabel "1,2,3,4,7,8-hexachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1240"^^xsd:int .
csc:PSQYTAPXSHCGMF-BQYQJAHWSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:638014 ;
dbo:casNumber "14901-07-6" , "79-77-6" , "35031-06-2" ;
dbo:formula "C13H20O" ;
dbo:inchi "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+" ;
dbo:iupacName "['4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one', '(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one']"@en ;
dbo:pubchem "638014"^^xsd:int ;
dbo:smiles "CC1=C(C(CCC1)(C)C)C=CC(=O)C" ;
dbp:inchikey "InChIKey=PSQYTAPXSHCGMF-BQYQJAHWSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4266TC1y1ccC" ;
skos:prefLabel "4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on"@nl .
csc:WMOVHXAZOJBABW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10908 ;
dbo:casNumber "540-88-5" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" ;
dbo:iupacName "tert-Butyl acetate"@en ;
dbo:pubchem "10908"^^xsd:int ;
dbo:smiles "CC(=O)OC(C)(C)C" ;
dbp:inchikey "InChIKey=WMOVHXAZOJBABW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_012 ;
skos:altLabel "tertiair-butylacetaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yactt" ;
skos:prefLabel "t-butylacetaat"@nl .
csc:SXHLTVKPNQVZGL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38034 ;
dbo:casNumber "38444-84-7" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H" ;
dbo:iupacName "1,2-dichloro-3-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "38034"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=SXHLTVKPNQVZGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB20" ;
skos:prefLabel "2,3,3'-trichloorbifenyl"@nl .
csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:727 ;
dbo:casNumber "8007-42-9" , "39284-22-5" , "25897-48-7" , "319-86-8" , "58-89-9" , "55963-79-6" , "20437-97-2" , "8073-23-2" , "6108-10-7" , "60291-32-9" , "6108-13-0" , "319-85-7" , "6108-12-9" , "319-84-6" , "89609-19-8" , "53529-37-6" , "608-73-1" , "6108-11-8" ;
dbo:formula "C6H6Cl6" ;
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H" ;
dbo:iupacName "1,2,3,4,5,6-Hexachlorocyclohexane"@en ;
dbo:pubchem "727"^^xsd:int ;
dbo:smiles "C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JLYXXMFPNIAWKQ-UHFFFAOYSA-N" ;
skos:altLabel "eta-hexachloorcyclohexaan"@nl , "alfa-hexachloorcyclohexaan"@nl , "β-hexachloorcyclo-hexaan (β-hch)"@nl , "delta-hexachloorcyclohexaan"@nl , "hexachloorcyclohexaan, alle isomeren"@nl , "epsilon-hexachloorcyclohexaan"@nl , "som hexachloorcyclohexaan-isomeren"@nl , "α-hexachloorcyclo-hexaan (α-hch)"@nl , "σ-hexachloorcyclo-hexaan (σ-hch)"@nl , "beta-hexachloorcyclohexaan (beta-hch)"@nl , "delta-hexachloorcyclohexaan (delta-hch)"@nl , "gamma-hexachloorcyclohexaan (lindaan)"@nl , "gamma-hexachloorcyclohexaan (gamma-hch, lindaan)"@nl , "y-hexachloorcyclo-hexaan (y-hch)"@nl , "gamma-hexachloorcyclohexaan"@nl , "alfa-hexachloorcyclohexaan (alfa-hch)"@nl ;
skos:broader csc:CHEMONTID_0004485 ;
skos:exactMatch wise:CAS_319-84-6 , wise:CAS_58-89-9 , wise:CAS_319-85-7 , wise:CAS_608-73-1 , wise:CAS_6108-10-7 , wise:CAS_319-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sHCH" , "dHCH" , "hHCH" , "cHCH" , "eHCH" , "bHCH" , "aHCH" ;
skos:prefLabel "beta-hexachloorcyclohexaan"@nl ;
vcs:vmmParameterId "247"^^xsd:int , "1205"^^xsd:int , "250"^^xsd:int , "248"^^xsd:int , "246"^^xsd:int , "249"^^xsd:int .
csc:MZHCENGPTKEIGP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8427 ;
dbo:casNumber "120-36-5" , "7547-66-2" ;
dbo:formula "C9H8Cl2O3" ;
dbo:inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)" ;
dbo:iupacName "2-(2,4-Dichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "8427"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=MZHCENGPTKEIGP-UHFFFAOYSA-N" ;
skos:altLabel "dichlorprop"@nl , "2,4-dichloorfenoxypropionzuur"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_120-36-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DP" ;
skos:prefLabel "dichloorprop"@nl ;
vcs:vmmParameterId "234"^^xsd:int .
csc:TZBJGXHYKVUXJN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280961 ;
dbo:casNumber "446-72-0" ;
dbo:formula "C15H10O5" ;
dbo:inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" ;
dbo:iupacName "5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one"@en ;
dbo:pubchem "5280961"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O" ;
dbp:inchikey "InChIKey=TZBJGXHYKVUXJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gensn" ;
skos:prefLabel "genistein"@nl .
csc:OSDLLIBGSJNGJE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2723 ;
dbo:casNumber "88-04-0" ;
dbo:formula "C8H9ClO" ;
dbo:inchi "InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3" ;
dbo:iupacName "4-Chloro-3,5-dimethylphenol"@en ;
dbo:pubchem "2723"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1Cl)C)O" ;
dbp:inchikey "InChIKey=OSDLLIBGSJNGJE-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-3,5-dimethylfenol"@nl ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clxlnl" ;
skos:prefLabel "chloorxylenol"@nl .
csc:CHEMONTID_0003961
skos:narrower csc:QZHDEAJFRJCDMF-UHFFFAOYSA-N , csc:OYGQVDSRYXATEL-UHFFFAOYSA-N , csc:MNEXVZFQQPKDHC-UHFFFAOYSA-N , csc:JGTNAGYHADQMCM-UHFFFAOYSA-N , csc:HYWZIAVPBSTISZ-UHFFFAOYSA-N , csc:CFCRODHVHXGTPC-UHFFFAOYSA-N , csc:ACEKLXZRZOWKRY-UHFFFAOYSA-N .
csc:CRBJBYGJVIBWIY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6943 ;
dbo:casNumber "88-69-7" , "25168-06-3" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3" ;
dbo:iupacName "2-propan-2-ylphenol"@en ;
dbo:pubchem "6943"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=CRBJBYGJVIBWIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2iC3yFol" ;
skos:prefLabel "2-isopropylfenol"@nl .
csc:CHEMONTID_0004477
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004477 ;
skos:definition "Aromatic compounds that are made up of carbon and hydrogen atoms only."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KTWOOEGAPBSYNW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004477" ;
skos:prefLabel "Aromatic hydrocarbons"@en .
csc:FIKAKWIAUPDISJ-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15938 ;
dbo:casNumber "136338-65-3" , "57593-74-5" , "65982-50-5" , "1910-42-5" , "247050-57-3" , "3765-78-4" , "205105-68-6" ;
dbo:formula "C12H14Cl2N2" ;
dbo:inchi "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" ;
dbo:iupacName "1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride"@en ;
dbo:pubchem "15938"^^xsd:int ;
dbo:smiles "C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]" ;
dbp:inchikey "InChIKey=FIKAKWIAUPDISJ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pqtDCl" ;
skos:prefLabel "paraquat-dichloride"@nl .
csc:ZPIFKCVYZBVZIV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10000 ;
dbo:casNumber "673-93-8" , "460-35-5" ;
dbo:formula "C3H4ClF3" ;
dbo:inchi "InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2" ;
dbo:iupacName "['3-Chloro-1,1,1-trifluoropropane', '1-chloro-3,3,3-trifluoroprop-1-yne']"@en ;
dbo:pubchem "10000"^^xsd:int ;
dbo:smiles "C(CCl)C(F)(F)F" ;
dbp:inchikey "InChIKey=ZPIFKCVYZBVZIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK253fb" ;
skos:prefLabel "3-chloor-1,1,1-trifluorpropaan"@nl .
csc:GUVRBAGPIYLISA-OUBTZVSYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161013 ;
dbo:casNumber "13982-00-8" ;
dbo:formula "Ta" ;
dbo:inchi "InChI=1S/Ta/i1+1" ;
dbo:iupacName "tantalum-182"@en ;
dbo:pubchem "161013"^^xsd:int ;
dbo:smiles "[Ta]" ;
dbp:inchikey "InChIKey=GUVRBAGPIYLISA-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ta182" ;
skos:prefLabel "tantalum 182"@nl .
csc:CHEMONTID_0000423
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000423 ;
skos:definition "Inorganic compounds that contain only metal elements."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000423" ;
skos:prefLabel "Homogeneous non-metal compounds"@en .
csc:CLMQUEQFVUMDPC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21484 ;
dbo:casNumber "5388-62-5" ;
dbo:formula "C6H4ClN3O4" ;
dbo:inchi "InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2" ;
dbo:iupacName "4-Chloro-2,6-dinitroaniline"@en ;
dbo:pubchem "21484"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=CLMQUEQFVUMDPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl26DNO2An" ;
skos:prefLabel "4-chloor-2,6-dinitroaniline"@nl .
csc:SNRUBQQJIBEYMU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8182 ;
dbo:casNumber "93924-07-3" , "112-40-3" , "129813-67-8" ;
dbo:formula "C12H26" ;
dbo:inchi "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" ;
dbo:iupacName "Dodecane"@en ;
dbo:pubchem "8182"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=SNRUBQQJIBEYMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12a" ;
skos:prefLabel "dodecaan"@nl .
csc:ZKXDGKXYMTYWTB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6046 ;
dbo:casNumber "67587-56-8" , "59-89-2" ;
dbo:formula "C4H8N2O2" ;
dbo:inchi "InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2" ;
dbo:iupacName "4-Nitrosomorpholine"@en ;
dbo:pubchem "6046"^^xsd:int ;
dbo:smiles "C1COCCN1N=O" ;
dbp:inchikey "InChIKey=ZKXDGKXYMTYWTB-UHFFFAOYSA-N" ;
skos:altLabel "N-nitrosomorfoline"@nl ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNO2smflne" ;
skos:prefLabel "n-nitrosomorfoline"@nl .
csc:RTNLUFLDZOAXIC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16692 ;
dbo:casNumber "2234-13-1" ;
dbo:formula "C10Cl8" ;
dbo:inchi "InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12" ;
dbo:iupacName "1,2,3,4,5,6,7,8-Octachloronaphthalene"@en ;
dbo:pubchem "16692"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RTNLUFLDZOAXIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcClNaf" ;
skos:prefLabel "octachloornaftaleen"@nl .
csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4115 ;
dbo:casNumber "72-43-5" ;
dbo:formula "C16H15Cl3O2" ;
dbo:inchi "InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3" ;
dbo:iupacName "1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene"@en ;
dbo:pubchem "4115"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=IAKOZHOLGAGEJT-UHFFFAOYSA-N" ;
skos:altLabel "p,p’-methoxychlor"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-43-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxCl" ;
skos:prefLabel "methoxychloor"@nl ;
vcs:vmmParameterId "254"^^xsd:int .
csc:CHEMONTID_0001565
skos:narrower csc:XWPZUHJBOLQNMN-UHFFFAOYSA-N , csc:QTYCMDBMOLSEAM-UHFFFAOYSA-N .
csc:JUZNIMUFDBIJCM-ANEDZVCMSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:150610 ;
dbo:casNumber "153832-46-3" ;
dbo:formula "C22H25N3O7S" ;
dbo:inchi "InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1" ;
dbo:iupacName "(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "150610"^^xsd:int ;
dbo:smiles "CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O" ;
dbp:inchikey "InChIKey=JUZNIMUFDBIJCM-ANEDZVCMSA-N" ;
skos:broader csc:CHEMONTID_0002362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ertpnm" ;
skos:prefLabel "ertapenem"@nl .
csc:CHEMONTID_0003314
skos:narrower csc:OORLZFUTLGXMEF-UHFFFAOYSA-N , csc:MLKCGVHIFJBRCD-UHFFFAOYSA-N , csc:GMBRUAIJEFRHFQ-UHFFFAOYSA-N , csc:BABJTMNVJXLAEX-UHFFFAOYSA-N , csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N .
csc:DNRJTBAOUJJKDY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:89440 ;
dbo:casNumber "131433-13-1" , "21145-77-7" , "1506-02-1" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3" ;
dbo:iupacName "1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "89440"^^xsd:int ;
dbo:smiles "CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C" ;
dbp:inchikey "InChIKey=DNRJTBAOUJJKDY-UHFFFAOYSA-N" ;
skos:altLabel "tonalide"@nl ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AHTN" , "ATHN" ;
skos:prefLabel "acetylhexamethyltetrahydronaftaleen"@nl .
csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'HCl'"@nl , "VLAR II bijl. 2.5.1 'chloorwaterstof'"@nl , "VLAR III (D3) 'waterstofchloride (HCl)'"@nl , "VLAR II (D5, diverse art) 'HCl'"@nl ;
rdfs:seeAlso compound:313 ;
dbo:casNumber "7647-01-0" , "113962-65-5" , "51005-19-7" , "61674-62-2" , "218625-68-4" ;
dbo:formula "ClH" ;
dbo:inchi "InChI=1S/ClH/h1H" ;
dbo:iupacName "['hydrogen chloride', 'hydron chloride']"@en ;
dbo:pubchem "313"^^xsd:int ;
dbo:smiles "Cl" ;
dbp:inchikey "InChIKey=VEXZGXHMUGYJMC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_001 ;
skos:altLabel "zoutzuur"@nl ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCl" ;
skos:prefLabel "waterstofchloride"@nl .
csc:CHEMONTID_0003940
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003940 ;
skos:definition "Organic compounds containing an oxide group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UGCNRZFAUBJVPT-UHFFFAOYSA-N , csc:MOQGCGNUWBPGTQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003940" ;
skos:prefLabel "Organic oxides"@en .
csc:GRLPQNLYRHEGIJ-UHFFFAOYSA-J
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24856 ;
dbo:casNumber "10043-01-3" , "131315-49-6" , "10043-67-1" ;
dbo:formula "AlKO8S2" ;
dbo:inchi "InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" ;
dbo:iupacName "Aluminum potassium disulfate"@en ;
dbo:pubchem "24856"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]" ;
dbp:inchikey "InChIKey=GRLPQNLYRHEGIJ-UHFFFAOYSA-J" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlSO4" ;
skos:prefLabel "aluminiumsulfaat"@nl .
csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:18636 ;
dbo:casNumber "3268-87-9" ;
dbo:formula "C12Cl8O2" ;
dbo:inchi "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10" ;
dbo:iupacName "1,2,3,4,6,7,8,9-octachlorooxanthrene"@en ;
dbo:pubchem "18636"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FOIBFBMSLDGNHL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "octachloordibenzo-para-dioxine"@nl , "octachloordibenzodioxine"@nl , "octachloordibenzodioxine (ocdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_3268-87-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD75" ;
skos:prefLabel "1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "1252"^^xsd:int .
csc:UJOBWOGCFQCDNV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6854 ;
dbo:casNumber "86-74-8" ;
dbo:formula "C12H9N" ;
dbo:inchi "InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H" ;
dbo:iupacName "9H-Carbazole"@en ;
dbo:pubchem "6854"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3N2" ;
dbp:inchikey "InChIKey=UJOBWOGCFQCDNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbzl" ;
skos:prefLabel "carbazol"@nl .
csc:CHEMONTID_0004456
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004456 ;
skos:definition "Organic compounds containing the selenite oxoanion, with the formula [SO3]2-, or its conjugated base."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004456" ;
skos:prefLabel "Organic sulfites"@en .
csc:YEHGKFOTJWYCBN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:229159 ;
dbo:casNumber "6316-30-9" ;
dbo:formula "C18H28O2" ;
dbo:inchi "InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3" ;
dbo:iupacName "Undecyl benzoate"@en ;
dbo:pubchem "229159"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCOC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=YEHGKFOTJWYCBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11ybzat" ;
skos:prefLabel "undecylbenzoaat"@nl .
csc:IGUYEXXAGBDLLX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51574 ;
dbo:casNumber "84332-86-5" , "72391-46-9" ;
dbo:formula "C13H11Cl2NO5" ;
dbo:inchi "InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3" ;
dbo:iupacName "ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate"@en ;
dbo:pubchem "51574"^^xsd:int ;
dbo:smiles "CCOC(=O)C1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C" ;
dbp:inchikey "InChIKey=IGUYEXXAGBDLLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlozlnt" ;
skos:prefLabel "chlozolinaat"@nl .
csc:CHEMONTID_0002230
skos:narrower csc:LEQAOMBKQFMDFZ-UHFFFAOYSA-N , csc:IKHGUXGNUITLKF-UHFFFAOYSA-N , csc:AMIMRNSIRUDHCM-UHFFFAOYSA-N .
csc:HJJVPARKXDDIQD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3444 ;
dbo:casNumber "116255-48-2" ;
dbo:formula "C13H12BrCl2N3O" ;
dbo:inchi "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" ;
dbo:iupacName "1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "3444"^^xsd:int ;
dbo:smiles "C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br" ;
dbp:inchikey "InChIKey=HJJVPARKXDDIQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromcnzl" ;
skos:prefLabel "bromuconazool"@nl .
csc:GTKRZJVAXAQBMB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93139 ;
dbo:casNumber "30614-22-3" ;
dbo:formula "C10H16N4O2" ;
dbo:inchi "InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)" ;
dbo:iupacName "(5,6-dimethyl-2-methylaminopyrimidin-4-yl) N,N-dimethylcarbamate"@en ;
dbo:pubchem "93139"^^xsd:int ;
dbo:smiles "CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C" ;
dbp:inchikey "InChIKey=GTKRZJVAXAQBMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001262 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmcdC1y" ;
skos:prefLabel "pirimicarb-desmethyl"@nl .
csc:NIFKBBMCXCMCAO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11409499 ;
dbo:casNumber "208465-21-8" ;
dbo:formula "C17H21N5O9S2" ;
dbo:inchi "InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)" ;
dbo:iupacName "methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate"@en ;
dbo:pubchem "11409499"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC" ;
dbp:inchikey "InChIKey=NIFKBBMCXCMCAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "messfrnC1y" ;
skos:prefLabel "mesosulfuron-methyl"@nl .
csc:JWEOEZZCZCCPJL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:241520 ;
dbo:casNumber "700-46-9" ;
dbo:formula "C9H8N2" ;
dbo:inchi "InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3" ;
dbo:iupacName "4-Methylquinazoline"@en ;
dbo:pubchem "241520"^^xsd:int ;
dbo:smiles "CC1=NC=NC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=JWEOEZZCZCCPJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yqnzlne" ;
skos:prefLabel "4-methylquinazoline"@nl .
csc:QBSJMKIUCUGGNG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17517 ;
dbo:casNumber "2631-40-5" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2-propan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17517"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=QBSJMKIUCUGGNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipcb" ;
skos:prefLabel "isoprocarb"@nl .
csc:CHEMONTID_0000402
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000402 ;
skos:definition "Organic compounds containing phosphoric acid or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000402" ;
skos:prefLabel "Organic phosphoric acids and derivatives"@en .
csc:HCAJEUSONLESMK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7533 ;
dbo:casNumber "45951-45-9" , "100-88-9" ;
dbo:formula "C6H13NO3S" ;
dbo:inchi "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)" ;
dbo:iupacName "Cyclohexylsulfamic acid"@en ;
dbo:pubchem "7533"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NS(=O)(=O)O" ;
dbp:inchikey "InChIKey=HCAJEUSONLESMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000365 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycmt" ;
skos:prefLabel "cyclamaat"@nl .
csc:LXCLPHJRGDTDDB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3013925 ;
dbo:casNumber "654-36-4" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2" ;
dbo:iupacName "2,3,4,6-Tetrachloroaniline"@en ;
dbo:pubchem "3013925"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)N)Cl" ;
dbp:inchikey "InChIKey=LXCLPHJRGDTDDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2346T4ClAn" ;
skos:prefLabel "2,3,4,6-tetrachlooraniline"@nl .
csc:PWHULOQIROXLJO-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104743 ;
dbo:casNumber "13966-31-9" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn/i1-1" ;
dbo:iupacName "manganese-54"@en ;
dbo:pubchem "104743"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "InChIKey=PWHULOQIROXLJO-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn54" ;
skos:prefLabel "mangaan 54"@nl .
csc:CHEMONTID_0002771
skos:narrower csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N , csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N , csc:KEWNKZNZRIAIAK-UHFFFAOYSA-N , csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N .
csc:CHEMONTID_0001544
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001544 ;
skos:definition "Nucleotides consisting of a purine base linked to a ribose to which at least one phosphate group is attached."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001544" ;
skos:prefLabel "Purine ribonucleotides"@en .
csc:ZSLUVFAKFWKJRC-FTXFMUIASA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61806 ;
dbo:casNumber "15623-47-9" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-5" ;
dbo:iupacName "thorium-227"@en ;
dbo:pubchem "61806"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th227" ;
skos:prefLabel "thorium 227"@nl .
csc:CHEMONTID_0000317
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000317 ;
skos:definition "Organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HSUGRBWQSSZJOP-RTWAWAEBSA-N ;
skos:notation "CHEMONTID:0000317" ;
skos:prefLabel "Benzothiazepines"@en .
csc:WNVCMFHPRIBNCW-HTQZYQBOSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:41285 ;
dbo:casNumber "55013-32-6" ;
dbo:formula "C9H16O2" ;
dbo:inchi "InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1" ;
dbo:iupacName "(4R,5R)-5-butyl-4-methyloxolan-2-one"@en ;
dbo:pubchem "41285"^^xsd:int ;
dbo:smiles "CCCCC1C(CC(=O)O1)C" ;
dbp:inchikey "InChIKey=WNVCMFHPRIBNCW-HTQZYQBOSA-N" ;
skos:altLabel "cis-5-butyldihydro-4-methyl-2(3h)furanon"@nl ;
skos:broader csc:CHEMONTID_0001245 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c5C4yH4C1y23" ;
skos:prefLabel "cis-5-butyldihydro-4-methyl-2(3H)furanon"@nl .
csc:FCXPVFLEDIQLLO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20636 ;
dbo:casNumber "4534-53-6" ;
dbo:formula "C19H32" ;
dbo:inchi "InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3" ;
dbo:iupacName "tridecan-2-ylbenzene"@en ;
dbo:pubchem "20636"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=FCXPVFLEDIQLLO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1yC12yBen" ;
skos:prefLabel "1-methyldodecylbenzeen"@nl .
csc:PKJSRUTWBDIWAR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62817 ;
dbo:casNumber "26896-20-8" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)" ;
dbo:iupacName "2-ethyl-2,5-dimethylhexanoic acid"@en ;
dbo:pubchem "62817"^^xsd:int ;
dbo:smiles "CCC(C)(CCC(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=PKJSRUTWBDIWAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "neoC10azr" ;
skos:prefLabel "neodecaanzuur"@nl .
csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:9033 ;
dbo:casNumber "9077-52-5" , "99932-76-0" , "66456-64-2" , "96956-22-8" , "96956-23-9" , "145379-92-6" , "151-56-4" , "39289-19-5" , "81210-09-5" , "81210-07-3" , "69522-69-6" , "92047-44-4" , "68130-98-3" , "9002-98-6" , "68130-99-4" , "81210-08-4" , "96956-24-0" ;
dbo:formula "C2H5N" ;
dbo:inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" ;
dbo:iupacName "Aziridine"@en ;
dbo:pubchem "9033"^^xsd:int ;
dbo:smiles "C1CN1" ;
dbp:inchikey "InChIKey=NOWKCMXCCJGMRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000103 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeimne" ;
skos:prefLabel "ethyleenimine"@nl .
csc:CJJOSEISRRTUQB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2268 ;
dbo:casNumber "54182-73-9" , "86-50-0" ;
dbo:formula "C10H12N3O3PS2" ;
dbo:inchi "InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3" ;
dbo:iupacName "3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one"@en ;
dbo:pubchem "2268"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1" ;
dbp:inchikey "InChIKey=CJJOSEISRRTUQB-UHFFFAOYSA-N" ;
skos:altLabel "methylazinfos"@nl ;
skos:broader csc:CHEMONTID_0004660 ;
skos:exactMatch wise:CAS_86-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yazfs" ;
skos:prefLabel "azinfos-methyl"@nl ;
vcs:vmmParameterId "394"^^xsd:int , "1080"^^xsd:int .
csc:GLUUGHFHXGJENI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4837 ;
dbo:casNumber "8057-14-5" , "81546-15-8" , "8027-81-4" , "110-85-0" , "8017-90-1" ;
dbo:formula "C4H10N2" ;
dbo:inchi "InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2" ;
dbo:iupacName "Piperazine"@en ;
dbo:pubchem "4837"^^xsd:int ;
dbo:smiles "C1CNCCN1" ;
dbp:inchikey "InChIKey=GLUUGHFHXGJENI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yeDAe" ;
skos:prefLabel "diethyleendiamine"@nl .
csc:CHEMONTID_0000460
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000460 ;
skos:definition "Inorganic compounds belonging to either of the metalloid hydrides, metalloid nitrides, metalloid oxides, metalloid sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000460" ;
skos:prefLabel "Metalloid organides"@en .
csc:HBGGXOJOCNVPFY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:590836 ;
dbo:casNumber "28553-12-0" , "68515-48-0" ;
dbo:formula "C26H42O4" ;
dbo:inchi "InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3" ;
dbo:iupacName "bis(7-methyloctyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "590836"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=HBGGXOJOCNVPFY-UHFFFAOYSA-N" ;
skos:altLabel "di-isononylftalaat (mix van isomeren)"@nl , "diisononylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9D810akFt" , "DiC9yFt" ;
skos:prefLabel "C9-rijk di-C8-10-vertakt alkylftalaat"@nl .
csc:OBETXYAYXDNJHR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8697 ;
dbo:casNumber "56006-48-5" , "61788-37-2" , "149-57-5" , "202054-39-5" , "83829-68-9" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" ;
dbo:iupacName "2-Ethylhexanoic acid"@en ;
dbo:pubchem "8697"^^xsd:int ;
dbo:smiles "CCCCC(CC)C(=O)O" ;
dbp:inchikey "InChIKey=OBETXYAYXDNJHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6azr" ;
skos:prefLabel "2-ethylhexaanzuur"@nl .
csc:WYEMLYFITZORAB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213013 ;
dbo:casNumber "188425-85-6" ;
dbo:formula "C18H12Cl2N2O" ;
dbo:inchi "InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)" ;
dbo:iupacName "2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide"@en ;
dbo:pubchem "213013"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl" ;
dbp:inchikey "InChIKey=WYEMLYFITZORAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004712 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "boscld" ;
skos:prefLabel "boscalid"@nl .
csc:IVDRCZNHVGQBHZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47455 ;
dbo:casNumber "64700-56-7" , "64470-88-8" ;
dbo:formula "C13H16Cl3NO4" ;
dbo:inchi "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" ;
dbo:iupacName "2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate"@en ;
dbo:pubchem "47455"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IVDRCZNHVGQBHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcpC4OxC2yEs" ;
skos:prefLabel "triclopyr-butoxyethylester"@nl .
csc:CHEMONTID_0000375
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000375 ;
skos:definition "Compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GGBZCCPSKRKGQB-UHFFFAOYSA-N , csc:YIKWKLYQRFRGPM-UHFFFAOYSA-N , csc:RONFGUROBZGJKP-UHFFFAOYSA-N , csc:QGBSISYHAICWAH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000375" ;
skos:prefLabel "Guanidines"@en .
csc:RWPICVVBGZBXNA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22932 ;
dbo:casNumber "6422-86-2" , "144981-82-8" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,4-dicarboxylate"@en ;
dbo:pubchem "22932"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC" ;
dbp:inchikey "InChIKey=RWPICVVBGZBXNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEHTP" ;
skos:prefLabel "bis(2-ethylhexyl)tereftalaat"@nl .
csc:NATVSFWWYVJTAZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12471 ;
dbo:casNumber "634-93-5" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2" ;
dbo:iupacName "2,4,6-Trichloroaniline"@en ;
dbo:pubchem "12471"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N)Cl)Cl" ;
dbp:inchikey "InChIKey=NATVSFWWYVJTAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TClAn" ;
skos:prefLabel "2,4,6-trichlooraniline"@nl .
csc:PQFRTXSWDXZRRS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5094 ;
dbo:casNumber "7681-76-7" ;
dbo:formula "C6H8N4O4" ;
dbo:inchi "InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)" ;
dbo:iupacName "(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate"@en ;
dbo:pubchem "5094"^^xsd:int ;
dbo:smiles "CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=PQFRTXSWDXZRRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rondzl" ;
skos:prefLabel "ronidazol"@nl .
csc:IXSZQYVWNJNRAL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:153974 ;
dbo:casNumber "153233-91-1" ;
dbo:formula "C21H23F2NO2" ;
dbo:inchi "InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3" ;
dbo:iupacName "4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole"@en ;
dbo:pubchem "153974"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F" ;
dbp:inchikey "InChIKey=IXSZQYVWNJNRAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etxzl" ;
skos:prefLabel "etoxazool"@nl .
csc:UWVQIROCRJWDKL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:53735 ;
dbo:casNumber "77732-09-3" ;
dbo:formula "C14H18N2O4" ;
dbo:inchi "InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3" ;
dbo:iupacName "N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide"@en ;
dbo:pubchem "53735"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O" ;
dbp:inchikey "InChIKey=UWVQIROCRJWDKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaDxl" ;
skos:prefLabel "oxadixyl"@nl .
csc:WFKWXMTUELFFGS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23964 ;
dbo:casNumber "7440-33-7" , "37374-90-6" , "22541-98-6" ;
dbo:formula "W" ;
dbo:inchi "InChI=1S/W" ;
dbo:iupacName "Tungsten"@en ;
dbo:pubchem "23964"^^xsd:int ;
dbo:smiles "[W]" ;
dbp:inchikey "InChIKey=WFKWXMTUELFFGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-33-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "W" ;
skos:prefLabel "wolfraam"@nl ;
vcs:vmmParameterId "1980"^^xsd:int , "680"^^xsd:int .
csc:RTKIYFITIVXBLE-WKWSCTOISA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6376322 ;
dbo:casNumber "58880-19-6" ;
dbo:formula "C17H22N2O3" ;
dbo:inchi "InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+" ;
dbo:iupacName "['7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide', '(2E,4E)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide']"@en ;
dbo:pubchem "6376322"^^xsd:int ;
dbo:smiles "CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "InChIKey=RTKIYFITIVXBLE-WKWSCTOISA-N" ;
skos:altLabel "trichostatin a"@nl ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcstnA" ;
skos:prefLabel "trichostatin A"@nl .
csc:YTTFFPATQICAQN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14846 ;
dbo:casNumber "1589-47-5" , "148616-44-8" , "28677-93-2" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-methoxypropan-1-ol"@en ;
dbo:pubchem "14846"^^xsd:int ;
dbo:smiles "CC(CO)OC" ;
dbp:inchikey "InChIKey=YTTFFPATQICAQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox1C3ol" ;
skos:prefLabel "2-methoxy-1-propanol"@nl .
csc:CHEMONTID_0001523
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001523 ;
skos:definition "Organic compounds containing a post-transition metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZMHZSHHZIKJFIR-UHFFFAOYSA-N , csc:GYKSIQWGEZQNEA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001523" ;
skos:prefLabel "Organo-post-transition metal compounds"@en .
csc:JDUYPUMQALQRCN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7565 ;
dbo:casNumber "101-55-3" ;
dbo:formula "C12H9BrO" ;
dbo:inchi "InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-bromo-4-(phenoxy)benzene"@en ;
dbo:pubchem "7565"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=C(C=C2)Br" ;
dbp:inchikey "InChIKey=JDUYPUMQALQRCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4BrFyFyEtr" ;
skos:prefLabel "4-broomfenylfenylether"@nl .
csc:XFBJRFNXPUCPKU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17304 ;
dbo:casNumber "2524-03-0" ;
dbo:formula "C2H6ClO2PS" ;
dbo:inchi "InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3" ;
dbo:iupacName "chloro-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "17304"^^xsd:int ;
dbo:smiles "COP(=S)(OC)Cl" ;
dbp:inchikey "InChIKey=XFBJRFNXPUCPKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001572 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yCltoPO4" ;
skos:prefLabel "dimethylchloorthiofosfaat"@nl .
csc:WBHQEUPUMONIKF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37036 ;
dbo:casNumber "35065-29-3" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37036"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WBHQEUPUMONIKF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB-180"@nl , "2,2',3,4,4',5,5'-heptachloorbifenyl"@nl , "2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)"@nl , "pcb-180"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-29-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB180" ;
skos:prefLabel "pcb 180"@nl ;
vcs:vmmParameterId "437"^^xsd:int , "1416"^^xsd:int .
csc:OFCNXPDARWKPPY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2094 ;
dbo:casNumber "184856-42-6" , "315-30-0" , "39464-14-7" , "22767-92-6" ;
dbo:formula "C5H4N4O" ;
dbo:inchi "InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)" ;
dbo:iupacName "1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one"@en ;
dbo:pubchem "2094"^^xsd:int ;
dbo:smiles "C1=C2C(=NC=NC2=O)NN1" ;
dbp:inchikey "InChIKey=OFCNXPDARWKPPY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004387 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allprnl" ;
skos:prefLabel "allopurinol"@nl .
csc:CHEMONTID_0001438
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001438 ;
skos:definition "Organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YASYVMFAVPKPKE-UHFFFAOYSA-N , csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N , csc:KXRPCFINVWWFHQ-UHFFFAOYSA-N , csc:ZOKXUAHZSKEQSS-UHFFFAOYSA-N , csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N , csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N , csc:KLAPGAOQRZTCBI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001438" ;
skos:prefLabel "Organothiophosphorus compounds"@en .
csc:SOGAXMICEFXMKE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7354 ;
dbo:casNumber "55126-77-7" , "37226-35-0" , "122526-41-4" , "97-88-1" , "51568-49-1" , "9003-63-8" , "180254-70-0" , "62169-30-6" , "106152-15-2" , "55922-77-5" , "53801-42-6" , "79331-93-4" , "102135-84-2" , "159172-35-7" , "9011-15-8" , "66828-11-3" ;
dbo:formula "C8H14O2" ;
dbo:inchi "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" ;
dbo:iupacName "butyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7354"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(=C)C" ;
dbp:inchikey "InChIKey=SOGAXMICEFXMKE-UHFFFAOYSA-N" ;
skos:altLabel "butylmethacrylaat"@nl ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4ymtclt" ;
skos:prefLabel "n-butylmetacrylaat"@nl .
csc:QSHDDOUJBYECFT-NJFSPNSNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104771 ;
dbo:casNumber "13982-78-0" ;
dbo:formula "Hg" ;
dbo:inchi "InChI=1S/Hg/i1+2" ;
dbo:iupacName "mercury-203"@en ;
dbo:pubchem "104771"^^xsd:int ;
dbo:smiles "[Hg]" ;
dbp:inchikey "InChIKey=QSHDDOUJBYECFT-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hg203" ;
skos:prefLabel "kwik 203"@nl .
csc:HJUFTIJOISQSKQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51605 ;
dbo:casNumber "79127-80-3" , "72490-01-8" ;
dbo:formula "C17H19NO4" ;
dbo:inchi "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" ;
dbo:iupacName "ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate"@en ;
dbo:pubchem "51605"^^xsd:int ;
dbo:smiles "CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=HJUFTIJOISQSKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenOxcb" ;
skos:prefLabel "fenoxycarb"@nl .
csc:HIHCTGNZNHSZPP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23536 ;
dbo:casNumber "7149-75-9" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3" ;
dbo:iupacName "4-Chloro-3-methylaniline"@en ;
dbo:pubchem "23536"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)N)Cl" ;
dbp:inchikey "InChIKey=HIHCTGNZNHSZPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3C1yAn" ;
skos:prefLabel "4-chloor-3-methylaniline"@nl .
csc:BFPYWIDHMRZLRN-SLHNCBLASA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5991 ;
dbo:casNumber "57-63-6" , "77538-56-8" ;
dbo:formula "C20H24O2" ;
dbo:inchi "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "5991"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N" ;
skos:altLabel "ethinylestradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_57-63-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etnetDol" ;
skos:prefLabel "17-alfa-ethinylestradiol"@nl ;
vcs:vmmParameterId "966"^^xsd:int .
csc:CHEMONTID_0001581
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001581 ;
skos:definition "Compounds containing a piperidine ring which bears a ketone."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZXNWYMNKYXUZGM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001581" ;
skos:prefLabel "Piperidinones"@en .
csc:CJPQIRJHIZUAQP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51369 ;
dbo:casNumber "71626-11-4" ;
dbo:formula "C20H23NO3" ;
dbo:inchi "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(2-phenylacetyl)amino]propanoate"@en ;
dbo:pubchem "51369"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CJPQIRJHIZUAQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benlxl" ;
skos:prefLabel "benalaxyl"@nl .
csc:VAYOSLLFUXYJDT-RDTXWAMCSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5761 ;
dbo:casNumber "50-37-3" ;
dbo:formula "C20H25N3O" ;
dbo:inchi "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1" ;
dbo:iupacName "(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"@en ;
dbo:pubchem "5761"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C" ;
dbp:inchikey "InChIKey=VAYOSLLFUXYJDT-RDTXWAMCSA-N" ;
skos:broader csc:CHEMONTID_0002680 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "LSD" ;
skos:prefLabel "lysergide"@nl .
csc:ILBONRFSLATCRE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13689 ;
dbo:casNumber "99910-17-5" , "947-02-4" ;
dbo:formula "C7H14NO3PS2" ;
dbo:inchi "InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3" ;
dbo:iupacName "N-diethoxyphosphoryl-1,3-dithiolan-2-imine"@en ;
dbo:pubchem "13689"^^xsd:int ;
dbo:smiles "CCOP(=O)(N=C1SCCS1)OCC" ;
dbp:inchikey "InChIKey=ILBONRFSLATCRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000408 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfln" ;
skos:prefLabel "fosfolan"@nl .
csc:DQRQIQZHRCRSDB-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8725 ;
dbo:casNumber "137-41-7" ;
dbo:formula "C2H4KNS2" ;
dbo:inchi "InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" ;
dbo:iupacName "potassium methylaminomethanedithioate"@en ;
dbo:pubchem "8725"^^xsd:int ;
dbo:smiles "CN=C(S)[S-].[K+]" ;
dbp:inchikey "InChIKey=DQRQIQZHRCRSDB-UHFFFAOYSA-M" ;
skos:altLabel "kalium n-methyldithiocarbamaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KNC1yDtocbmt" ;
skos:prefLabel "kalium N-methyldithiocarbamaat"@nl .
csc:WFKSADNZWSKCRZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38090 ;
dbo:casNumber "38727-55-8" , "51142-20-2" , "52002-01-4" , "62180-86-3" ;
dbo:formula "C16H22ClNO3" ;
dbo:inchi "InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3" ;
dbo:iupacName "ethyl 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetate"@en ;
dbo:pubchem "38090"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl" ;
dbp:inchikey "InChIKey=WFKSADNZWSKCRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DettC2y" ;
skos:prefLabel "diethatylethyl"@nl .
csc:STJXCDGCXVZHDU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9134 ;
dbo:casNumber "194-59-2" , "28641-62-5" ;
dbo:formula "C20H13N" ;
dbo:inchi "InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H" ;
dbo:iupacName "12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene"@en ;
dbo:pubchem "9134"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=CC=CC=C54" ;
dbp:inchikey "InChIKey=STJXCDGCXVZHDU-UHFFFAOYSA-N" ;
skos:altLabel "7h-dibenzo(c,g)carbazol"@nl ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7HDbzcgcbzl" ;
skos:prefLabel "7H-dibenzo(c,g)carbazol"@nl .
csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2730 ;
dbo:casNumber "12768-48-8" , "39475-55-3" , "2921-88-2" ;
dbo:formula "C9H11Cl3NO3PS" ;
dbo:inchi "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane"@en ;
dbo:pubchem "2730"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SBPBAQFWLVIOKP-UHFFFAOYSA-N" ;
skos:altLabel "ethylchloorpyrifos"@nl , "chloorpyrifos"@nl , "chlorpyrifos"@nl ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_2921-88-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yClprfs" ;
skos:prefLabel "chloorpyrifos-ethyl"@nl ;
vcs:vmmParameterId "686"^^xsd:int .
csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:213021 ;
dbo:casNumber "160430-64-8" , "135410-20-7" ;
dbo:formula "C10H11ClN4" ;
dbo:inchi "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3" ;
dbo:iupacName "N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide"@en ;
dbo:pubchem "213021"^^xsd:int ;
dbo:smiles "CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=WCXDHFDTOYPNIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:exactMatch wise:CAS_135410-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actmpd" ;
skos:prefLabel "acetamiprid"@nl ;
vcs:vmmParameterId "1505"^^xsd:int .
csc:KAATUXNTWXVJKI-DXCJPMOASA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:49833 ;
dbo:casNumber "67375-30-8" , "70982-02-4" ;
dbo:formula "C22H19Cl2NO3" ;
dbo:inchi "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "49833"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=KAATUXNTWXVJKI-DXCJPMOASA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acpmtn" ;
skos:prefLabel "alfa-cypermethrin"@nl .
csc:CHEMONTID_0004472
skos:narrower csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N , csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N , csc:HEWZVZIVELJPQZ-UHFFFAOYSA-N , csc:GQXSDDHYUVYJCQ-UHFFFAOYSA-N , csc:FWCBATIDXGJRMF-UHFFFAOYSA-N .
csc:ADPGKKZKGXANON-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61495 ;
dbo:casNumber "12001-15-9" , "10213-79-3" , "1344-09-8" ;
dbo:formula "H10Na2O8Si" ;
dbo:inchi "InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;" ;
dbo:iupacName "disodium dioxido-oxosilane pentahydrate"@en ;
dbo:pubchem "61495"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=ADPGKKZKGXANON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaSiO2" ;
skos:prefLabel "natriumsilicaat"@nl .
csc:KDSNLYIMUZNERS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6558 ;
dbo:casNumber "78-81-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" ;
dbo:iupacName "2-methylpropan-1-amine"@en ;
dbo:pubchem "6558"^^xsd:int ;
dbo:smiles "CC(C)CN" ;
dbp:inchikey "InChIKey=KDSNLYIMUZNERS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yAe" ;
skos:prefLabel "isobutylamine"@nl .
csc:JHRWWRDRBPCWTF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17038 ;
dbo:casNumber "2425-06-1" , "2939-80-2" , "61913-12-0" , "30017-05-1" ;
dbo:formula "C10H9Cl4NO2S" ;
dbo:inchi "InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2" ;
dbo:iupacName "2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "17038"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=JHRWWRDRBPCWTF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captfl" ;
skos:prefLabel "captafol"@nl .
csc:RUDINRUXCKIXAJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67822 ;
dbo:casNumber "376-06-7" ;
dbo:formula "C14HF27O2" ;
dbo:inchi "InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid"@en ;
dbo:pubchem "67822"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=RUDINRUXCKIXAJ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-tetradecaanzuur (pfteda)"@nl , "perfluortetradecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFTeDA" ;
skos:prefLabel "perfluor-n-tetradecaanzuur"@nl .
csc:CHEMONTID_0000901
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000901 ;
skos:definition "Inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is an alkali metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ADPGKKZKGXANON-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000901" ;
skos:prefLabel "Alkali metal silicates"@en .
csc:CHEMONTID_0000895
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000895 ;
skos:definition "Inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RHSGYAYYVYMXIF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000895" ;
skos:prefLabel "Alkali metal borates"@en .
csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7238 ;
dbo:casNumber "95-49-8" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-2-methylbenzene"@en ;
dbo:pubchem "7238"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1Cl" ;
dbp:inchikey "InChIKey=IBSQPLPBRSHTTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_95-49-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClTol" ;
skos:prefLabel "2-chloortolueen"@nl ;
vcs:vmmParameterId "353"^^xsd:int .
csc:CHEMONTID_0004387
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004387 ;
skos:definition "Aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OFCNXPDARWKPPY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004387" ;
skos:prefLabel "Pyrazolo[3,4-d]pyrimidines"@en .
csc:PCZHWPSNPWAQNF-LMOVPXPDSA-K
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:219084 ;
dbo:casNumber "135326-11-3" ;
dbo:formula "C23H30GdN3O11" ;
dbo:inchi "InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1" ;
dbo:iupacName "2-[[(2S)-2-[bis(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; hydron"@en ;
dbo:pubchem "219084"^^xsd:int ;
dbo:smiles "[H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "InChIKey=PCZHWPSNPWAQNF-LMOVPXPDSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadxzr" ;
skos:prefLabel "gadoxeetzuur"@nl .
csc:SPPWGCYEYAMHDT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7486 ;
dbo:casNumber "100-18-5" , "700-18-5" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "1,4-di(propan-2-yl)benzene"@en ;
dbo:pubchem "7486"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)C(C)C" ;
dbp:inchikey "InChIKey=SPPWGCYEYAMHDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DiC3yeBen" ;
skos:prefLabel "1,4-di-isopropylbenzeen"@nl .
csc:FYOFOKCECDGJBF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26040 ;
dbo:casNumber "37220-42-1" , "36823-35-5" , "540770-45-4" , "13463-40-6" ;
dbo:formula "C5FeO5" ;
dbo:inchi "InChI=1S/5CO.Fe/c5*1-2;" ;
dbo:iupacName "carbon monoxide; iron"@en ;
dbo:pubchem "26040"^^xsd:int ;
dbo:smiles "C=O.C=O.C=O.C=O.C=O.[Fe]" ;
dbp:inchikey "InChIKey=FYOFOKCECDGJBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FePecbnl" ;
skos:prefLabel "ijzerpentacarbonyl"@nl .
csc:RBACIKXCRWGCBB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7834 ;
dbo:casNumber "1331-08-4" , "106-88-7" , "55555-96-9" , "26249-20-7" , "59915-64-9" , "26140-56-7" , "38721-59-4" , "28347-41-3" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" ;
dbo:iupacName "2-Ethyloxirane"@en ;
dbo:pubchem "7834"^^xsd:int ;
dbo:smiles "CCC1CO1" ;
dbp:inchikey "InChIKey=RBACIKXCRWGCBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C4yeO" ;
skos:prefLabel "1,2-butyleenoxide"@nl .
csc:CHEMONTID_0000333
skos:narrower csc:NQPDZGIKBAWPEJ-UHFFFAOYSA-N , csc:NOQGZXFMHARMLW-UHFFFAOYSA-N , csc:IZNAUZVEFQFMON-UHFFFAOYSA-N , csc:FERIUCNNQQJTOY-UHFFFAOYSA-N .
csc:AOMUHOFOVNGZAN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8430 ;
dbo:casNumber "72968-36-6" , "83590-20-9" , "39341-48-5" , "15517-64-3" , "83452-99-7" , "92680-75-6" , "120-40-1" ;
dbo:formula "C16H33NO3" ;
dbo:inchi "InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3" ;
dbo:iupacName "N,N-Bis(2-hydroxyethyl)dodecanamide"@en ;
dbo:pubchem "8430"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(=O)N(CCO)CCO" ;
dbp:inchikey "InChIKey=AOMUHOFOVNGZAN-UHFFFAOYSA-N" ;
skos:altLabel "dodecaanamide n,n-bis2-hydroxyethyl"@nl ;
skos:broader csc:CHEMONTID_0001096 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12aAdNNb2Ho" ;
skos:prefLabel "dodecaanamide N,N-bis2-hydroxyethyl"@nl .
csc:DAFHKNAQFPVRKR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6490 ;
dbo:casNumber "25134-27-4" , "80525-37-7" , "77-68-9" , "141136-23-4" , "25265-77-4" , "129383-05-7" ;
dbo:formula "C12H24O3" ;
dbo:inchi "InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3" ;
dbo:iupacName "(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate"@en ;
dbo:pubchem "6490"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)COC(=O)C(C)C)O" ;
dbp:inchikey "InChIKey=DAFHKNAQFPVRKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "texanl" ;
skos:prefLabel "texanol"@nl .
csc:RSXXYTIHSOOFBG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:297310 ;
dbo:casNumber "36209-71-9" ;
dbo:formula "C12H15NO3" ;
dbo:inchi "InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)" ;
dbo:iupacName "N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide"@en ;
dbo:pubchem "297310"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C" ;
dbp:inchikey "InChIKey=RSXXYTIHSOOFBG-UHFFFAOYSA-N" ;
skos:altLabel "N-acetyl-3,4-methyleendioxyamfetamine"@nl ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nact34C1yeDO" ;
skos:prefLabel "n-acetyl-3,4-methyleendioxyamfetamine"@nl .
csc:LGDSHSYDSCRFAB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11167 ;
dbo:casNumber "556-61-6" ;
dbo:formula "C2H3NS" ;
dbo:inchi "InChI=1S/C2H3NS/c1-3-2-4/h1H3" ;
dbo:iupacName "methylimino-sulfanylidenemethane"@en ;
dbo:pubchem "11167"^^xsd:int ;
dbo:smiles "CN=C=S" ;
dbp:inchikey "InChIKey=LGDSHSYDSCRFAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001234 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yitoCN" ;
skos:prefLabel "methylisothiocyanaat"@nl .
csc:ODNRTOSCFYDTKF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:35364 ;
dbo:casNumber "1795-27-3" , "1839-63-0" , "1795-26-2" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "1,3,5-Trimethylcyclohexane"@en ;
dbo:pubchem "35364"^^xsd:int ;
dbo:smiles "CC1CC(CC(C1)C)C" ;
dbp:inchikey "InChIKey=ODNRTOSCFYDTKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TC1yccC6a" ;
skos:prefLabel "1,3,5-trimethylcyclohexaan"@nl .
csc:CHEMONTID_0004451
skos:narrower csc:NIXOWILDQLNWCW-UHFFFAOYSA-N .
csc:CHEMONTID_0001475
skos:narrower csc:OWTFKEBRIAXSMO-UHFFFAOYSA-N .
csc:HNDLJIIQWDVRRI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:248472 ;
dbo:casNumber "778-83-6" ;
dbo:formula "C9H7Cl3O3" ;
dbo:inchi "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)" ;
dbo:iupacName "2-(2,4,6-trichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "248472"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HNDLJIIQWDVRRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2246TClfOxpp" ;
skos:prefLabel "2-(2,4,6-trichloorfenoxy)propion zuur"@nl .
csc:QUWSDLYBOVGOCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16685 ;
dbo:casNumber "2227-13-6" ;
dbo:formula "C12H6Cl4S" ;
dbo:inchi "InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene"@en ;
dbo:pubchem "16685"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QUWSDLYBOVGOCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4sl" ;
skos:prefLabel "tetrasul"@nl .
csc:XJUZRXYOEPSWMB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7864 ;
dbo:casNumber "107-30-2" ;
dbo:formula "C2H5ClO" ;
dbo:inchi "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3" ;
dbo:iupacName "chloro-methoxymethane"@en ;
dbo:pubchem "7864"^^xsd:int ;
dbo:smiles "COCCl" ;
dbp:inchikey "InChIKey=XJUZRXYOEPSWMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClDC1yEtr" ;
skos:prefLabel "chloordimethylether"@nl .
csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8857 ;
dbo:casNumber "141-78-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" ;
dbo:iupacName "Ethyl acetate"@en ;
dbo:pubchem "8857"^^xsd:int ;
dbo:smiles "CCOC(=O)C" ;
dbp:inchikey "InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yactt" ;
skos:prefLabel "ethylacetaat"@nl .
csc:AJYPYWFCUWHZMZ-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6365369 ;
dbo:casNumber "129396-21-0" , "32113-41-0" , "10066-90-7" ;
dbo:formula "C8H8KNO5S" ;
dbo:inchi "InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1" ;
dbo:iupacName "potassium (4-acetamidophenyl) sulfate"@en ;
dbo:pubchem "6365369"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]" ;
dbp:inchikey "InChIKey=AJYPYWFCUWHZMZ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actmnpSO4Esr" ;
skos:prefLabel "acetaminophen sulfaatester"@nl .
csc:FGIWFCGDPUIBEZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37995 ;
dbo:casNumber "38260-54-7" ;
dbo:formula "C10H17N2O4PS" ;
dbo:inchi "InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3" ;
dbo:iupacName "(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "37995"^^xsd:int ;
dbo:smiles "CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC" ;
dbp:inchikey "InChIKey=FGIWFCGDPUIBEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfs" ;
skos:prefLabel "etrimfos"@nl .
csc:RMIODHQZRUFFFF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12251 ;
dbo:casNumber "625-45-6" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)" ;
dbo:iupacName "2-Methoxyacetic acid"@en ;
dbo:pubchem "12251"^^xsd:int ;
dbo:smiles "COCC(=O)O" ;
dbp:inchikey "InChIKey=RMIODHQZRUFFFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxHAc" ;
skos:prefLabel "methoxyazijnzuur"@nl .
csc:APQIUTYORBAGEZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11201 ;
dbo:casNumber "557-91-5" , "25620-62-6" ;
dbo:formula "C2H4Br2" ;
dbo:inchi "InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3" ;
dbo:iupacName "1,1-DIBROMOETHANE"@en ;
dbo:pubchem "11201"^^xsd:int ;
dbo:smiles "CC(Br)Br" ;
dbp:inchikey "InChIKey=APQIUTYORBAGEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DBrC2a" ;
skos:prefLabel "1,1-dibroomethaan"@nl .
csc:IOPTXXRNXCPJGO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:119490 ;
dbo:casNumber "53380-23-7" ;
dbo:formula "C11H15NO4S" ;
dbo:inchi "InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "119490"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=IOPTXXRNXCPJGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcbsfn" ;
skos:prefLabel "ethiofencarbsulfon"@nl .
csc:IMHBYKMAHXWHRP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7541 ;
dbo:casNumber "101-05-3" ;
dbo:formula "C9H5Cl3N4" ;
dbo:inchi "InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)" ;
dbo:iupacName "4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine"@en ;
dbo:pubchem "7541"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IMHBYKMAHXWHRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "anlzne" ;
skos:prefLabel "anilazine"@nl .
csc:QZYNWJQFTJXIRN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12468 ;
dbo:casNumber "634-90-2" , "63697-21-2" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H" ;
dbo:iupacName "1,2,3,5-Tetrachlorobenzene"@en ;
dbo:pubchem "12468"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QZYNWJQFTJXIRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4ClBen" ;
skos:prefLabel "1,2,3,5-tetrachloorbenzeen"@nl .
csc:ZAXXZBQODQDCOW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033863 ;
dbo:casNumber "84540-57-8" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3" ;
dbo:iupacName "1-methoxypropyl acetate"@en ;
dbo:pubchem "3033863"^^xsd:int ;
dbo:smiles "CCC(OC)OC(=O)C" ;
dbp:inchikey "InChIKey=ZAXXZBQODQDCOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxC3yactt" ;
skos:prefLabel "1-methoxypropylacetaat"@nl .
csc:CHEMONTID_0003203
skos:narrower csc:CUBICSJJYOPOIA-UHFFFAOYSA-N .
csc:NRNWARROUIEBPJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
dbo:casNumber "639-58-7" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;" ;
dbo:iupacName "chloro-tri(phenyl)stannane"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=NRNWARROUIEBPJ-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "trifenyltinchloride"@nl .
csc:VGPIBGGRCVEHQZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91656 ;
dbo:casNumber "55179-31-2" ;
dbo:formula "C20H23N3O2" ;
dbo:inchi "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" ;
dbo:iupacName "3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "91656"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O" ;
dbp:inchikey "InChIKey=VGPIBGGRCVEHQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bittnl" ;
skos:prefLabel "bitertanol"@nl .
csc:AYAPZOUDXCDGIF-FRFVDRIFSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:64712 ;
dbo:casNumber "147-52-4" , "985-16-0" ;
dbo:formula "C21H21N2NaO5S" ;
dbo:inchi "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1" ;
dbo:iupacName "sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en ;
dbo:pubchem "64712"^^xsd:int ;
dbo:smiles "CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=AYAPZOUDXCDGIF-FRFVDRIFSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nafclne" ;
skos:prefLabel "nafcilline"@nl .
csc:WKDZZKIPDBZSRW-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16683944 ;
dbo:casNumber "3626-13-9" ;
dbo:formula "C8H8HgO2" ;
dbo:inchi "InChI=1S/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1" ;
dbo:iupacName "benzoyloxy-methylmercury"@en ;
dbo:pubchem "16683944"^^xsd:int ;
dbo:smiles "C[Hg]OC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=WKDZZKIPDBZSRW-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yHgbzat" ;
skos:prefLabel "methylkwikbenzoaat"@nl .
csc:XWPZUHJBOLQNMN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86210 ;
dbo:casNumber "125116-23-6" ;
dbo:formula "C17H22ClN3O" ;
dbo:inchi "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" ;
dbo:iupacName "5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "86210"^^xsd:int ;
dbo:smiles "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" ;
dbp:inchikey "InChIKey=XWPZUHJBOLQNMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcnzl" ;
skos:prefLabel "metconazool"@nl .
csc:WSABLXKFAPKFSO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21420 ;
dbo:casNumber "5336-24-3" ;
dbo:formula "C9H20N2O" ;
dbo:inchi "InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)" ;
dbo:iupacName "1,3-ditert-butylurea"@en ;
dbo:pubchem "21420"^^xsd:int ;
dbo:smiles "CC(C)(C)NC(=O)NC(C)(C)C" ;
dbp:inchikey "InChIKey=WSABLXKFAPKFSO-UHFFFAOYSA-N" ;
skos:altLabel "N,N'-bis(1,1-dimethylethyl)ureum"@nl ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb11DC1yC2y" ;
skos:prefLabel "n,n'-bis(1,1-dimethylethyl)ureum"@nl .
csc:PXSOHRWMIRDKMP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6235 ;
dbo:casNumber "8059-32-3" , "68-76-8" ;
dbo:formula "C12H13N3O2" ;
dbo:inchi "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2" ;
dbo:iupacName "2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "6235"^^xsd:int ;
dbo:smiles "C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4" ;
dbp:inchikey "InChIKey=PXSOHRWMIRDKMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazcn" ;
skos:prefLabel "triazichon"@nl .
csc:JBXZCPXEYAEMJS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23108 ;
dbo:casNumber "6627-34-5" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2" ;
dbo:iupacName "2,5-Dichloro-4-nitroaniline"@en ;
dbo:pubchem "23108"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N" ;
dbp:inchikey "InChIKey=JBXZCPXEYAEMJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DCl4NO2An" ;
skos:prefLabel "2,5-dichloor-4-nitroaniline"@nl .
csc:UDMZPLROONOSEF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40475 ;
dbo:casNumber "52663-68-0" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40475"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UDMZPLROONOSEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB187" ;
skos:prefLabel "2,2',3,4',5,5',6-heptachloorbifenyl"@nl .
csc:CHEMONTID_0000285
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000285 ;
skos:definition "Organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VDLGAVXLJYLFDH-UHFFFAOYSA-N , csc:UWVQIROCRJWDKL-UHFFFAOYSA-N , csc:SCCDDNKJYDZXMM-UHFFFAOYSA-N , csc:IANUJLZYFUDJIH-UHFFFAOYSA-N , csc:DIOZMSACJPTBST-UHFFFAOYSA-N , csc:AMEKQAFGQBKLKX-UHFFFAOYSA-N , csc:JOFDPSBOUCXJCC-UHFFFAOYSA-N , csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N , csc:DYDNPESBYVVLBO-UHFFFAOYSA-N , csc:STEPQTYSZVCJPV-UHFFFAOYSA-N , csc:GYSSRZJIHXQEHQ-UHFFFAOYSA-N , csc:LFULEKSKNZEWOE-UHFFFAOYSA-N , csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N , csc:DNTGGZPQPQTDQF-XBXARRHUSA-N , csc:HKPHPIREJKHECO-UHFFFAOYSA-N , csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N , csc:YPCALTGLHFLNGA-UHFFFAOYSA-N , csc:KXGYBSNVFXBPNO-UHFFFAOYSA-N , csc:UTCJUUGCHWHUNI-UHFFFAOYSA-N , csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000285" ;
skos:prefLabel "Anilides"@en .
csc:WNTGYJSOUMFZEP-SSDOTTSWSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:185588 ;
dbo:casNumber "16484-77-8" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1" ;
dbo:iupacName "(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid"@en ;
dbo:pubchem "185588"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O" ;
dbp:inchikey "InChIKey=WNTGYJSOUMFZEP-SSDOTTSWSA-N" ;
skos:altLabel "mecoprop-p"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecppP" ;
skos:prefLabel "mecoprop-P"@nl .
csc:FSPZPQQWDODWAU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38439 ;
dbo:casNumber "40321-76-4" ;
dbo:formula "C12H3Cl5O2" ;
dbo:inchi "InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H" ;
dbo:iupacName "1,2,3,7,8-pentachlorooxanthrene"@en ;
dbo:pubchem "38439"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FSPZPQQWDODWAU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8-pentachloordibenzodioxine"@nl , " 1,2,3,7,8-pentachloordibenzodioxine"@nl , "1,2,3,7,8-pentachloordibenzo-p-dioxine"@nl , "1,2,3,7,8-pentachloordibenzo-para-dioxine"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_40321-76-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD54" ;
skos:prefLabel "1,2,3,7,8-pentachloordibenzodioxine (pecdd)"@nl ;
vcs:vmmParameterId "1247"^^xsd:int .
csc:CBMXCNPQDUJNHT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11328 ;
dbo:casNumber "575-43-9" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" ;
dbo:iupacName "1,6-Dimethylnaphthalene"@en ;
dbo:pubchem "11328"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC(=C2C=C1)C" ;
dbp:inchikey "InChIKey=CBMXCNPQDUJNHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16DC1yNaf" ;
skos:prefLabel "1,6-dimethylnaftaleen"@nl .
csc:NHZLNPMOSADWGC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5338 ;
dbo:casNumber "8027-68-7" , "59-40-5" ;
dbo:formula "C14H12N4O2S" ;
dbo:inchi "InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)" ;
dbo:iupacName "4-amino-N-quinoxalin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5338"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N" ;
dbp:inchikey "InChIKey=NHZLNPMOSADWGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfqoxlne" ;
skos:prefLabel "sulfaquinoxaline"@nl .
csc:CHEMONTID_0000206
skos:narrower csc:VDUWPHTZYNWKRN-UHFFFAOYSA-N .
csc:QSNSCYSYFYORTR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7812 ;
dbo:casNumber "106-47-8" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" ;
dbo:iupacName "4-Chloroaniline"@en ;
dbo:pubchem "7812"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)Cl" ;
dbp:inchikey "InChIKey=QSNSCYSYFYORTR-UHFFFAOYSA-N" ;
skos:altLabel "4-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_106-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClAn" ;
skos:prefLabel "p-chlooraniline"@nl ;
vcs:vmmParameterId "51"^^xsd:int .
csc:TVFDJXOCXUVLDH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5354618 ;
dbo:casNumber "24347-12-4" , "7440-46-2" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs" ;
dbo:iupacName "CESIUM"@en ;
dbo:pubchem "5354618"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs" ;
skos:prefLabel "cesium"@nl .
csc:RYLHNOVXKPXDIP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91766 ;
dbo:casNumber "101463-69-8" ;
dbo:formula "C21H11ClF6N2O3" ;
dbo:inchi "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" ;
dbo:iupacName "N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91766"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F" ;
dbp:inchikey "InChIKey=RYLHNOVXKPXDIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnxrn" ;
skos:prefLabel "flufenoxuron"@nl .
csc:BAJQRLZAPXASRD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7114 ;
dbo:casNumber "92-93-3" , "28984-85-2" ;
dbo:formula "C12H9NO2" ;
dbo:inchi "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H" ;
dbo:iupacName "1-Nitro-4-phenylbenzene"@en ;
dbo:pubchem "7114"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=BAJQRLZAPXASRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DFy" ;
skos:prefLabel "4-nitrodifenyl"@nl .
csc:XMWRWTSZNLOZFN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62329 ;
dbo:casNumber "81-15-2" ;
dbo:formula "C12H15N3O6" ;
dbo:inchi "InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3" ;
dbo:iupacName "1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene"@en ;
dbo:pubchem "62329"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XMWRWTSZNLOZFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "muskxln" ;
skos:prefLabel "musk-xyleen"@nl .
csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38479 ;
dbo:casNumber "64667-17-0" , "39336-60-2" , "155421-40-2" , "64719-41-1" , "40487-42-1" ;
dbo:formula "C13H19N3O4" ;
dbo:inchi "InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3" ;
dbo:iupacName "3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline"@en ;
dbo:pubchem "38479"^^xsd:int ;
dbo:smiles "CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=CHIFOSRWCNZCFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_40487-42-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pendmtln" ;
skos:prefLabel "pendimethalin"@nl ;
vcs:vmmParameterId "1475"^^xsd:int .
csc:CHEMONTID_0001974
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001974 ;
skos:definition "Compounds containing a piperidine ring which bears a carboxylic acid group (or a derivative thereof)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001974" ;
skos:prefLabel "Piperidinecarboxylic acids and derivatives"@en .
csc:SLSSBKMDWYZIRQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108344 ;
dbo:casNumber "55525-54-7" ;
dbo:formula "C23H38N4O3" ;
dbo:inchi "InChI=1S/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)" ;
dbo:iupacName "1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea"@en ;
dbo:pubchem "108344"^^xsd:int ;
dbo:smiles "CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C" ;
dbp:inchikey "InChIKey=SLSSBKMDWYZIRQ-UHFFFAOYSA-N" ;
skos:altLabel "N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum"@nl ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb5iCN133TC" ;
skos:prefLabel "n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum"@nl .
csc:CHEMONTID_0000264
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000264 ;
skos:definition "Compounds an organic acid or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000264" ;
skos:prefLabel "Organic acids and derivatives"@en .
csc:VHKXXVVRRDYCIK-CWCPJSEDSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65452 ;
dbo:casNumber "55134-13-9" ;
dbo:formula "C43H72O11" ;
dbo:inchi "InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1" ;
dbo:iupacName "(2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid"@en ;
dbo:pubchem "65452"^^xsd:int ;
dbo:smiles "CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O" ;
dbp:inchikey "InChIKey=VHKXXVVRRDYCIK-CWCPJSEDSA-N" ;
skos:broader csc:CHEMONTID_0001755 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "narsne" ;
skos:prefLabel "narasine"@nl .
csc:SNKLPZOJLXDZCW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7379 ;
dbo:casNumber "98-27-1" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3" ;
dbo:iupacName "4-tert-Butyl-2-methylphenol"@en ;
dbo:pubchem "7379"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C(C)(C)C)O" ;
dbp:inchikey "InChIKey=SNKLPZOJLXDZCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "411DC1yC2y2C" ;
skos:prefLabel "4-(1,1-dimethylethyl)-2-methyl-fenol"@nl .
csc:RGCLLPNLLBQHPF-CMDGGOBGSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033834 ;
dbo:casNumber "13170-92-8" , "297-99-4" ;
dbo:formula "C10H19ClNO5P" ;
dbo:inchi "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+" ;
dbo:iupacName "[(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate"@en ;
dbo:pubchem "3033834"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl" ;
dbp:inchikey "InChIKey=RGCLLPNLLBQHPF-CMDGGOBGSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tfosfmdn" ;
skos:prefLabel "trans-fosfamidon"@nl .
csc:QYPPRTNMGCREIM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8948 ;
dbo:casNumber "124-58-3" , "35745-11-0" , "4950-59-8" ;
dbo:formula "CH5AsO3" ;
dbo:inchi "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)" ;
dbo:iupacName "Methylarsonic acid"@en ;
dbo:pubchem "8948"^^xsd:int ;
dbo:smiles "C[As](=O)(O)O" ;
dbp:inchikey "InChIKey=QYPPRTNMGCREIM-UHFFFAOYSA-N" ;
skos:altLabel "monomethyl arseenzuur"@nl ;
skos:broader csc:CHEMONTID_0004239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC1yAszr" ;
skos:prefLabel "monomethylarseenzuur"@nl .
csc:GCKFUYQCUCGESZ-KIIRVTSASA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40976 ;
dbo:casNumber "165050-21-5" , "54048-10-1" ;
dbo:formula "C22H28O2" ;
dbo:inchi "InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17?,18?,19?,20?,21?,22-/m0/s1" ;
dbo:iupacName "(17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "40976"^^xsd:int ;
dbo:smiles "CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "InChIKey=GCKFUYQCUCGESZ-KIIRVTSASA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etngtl" ;
skos:prefLabel "etonogestrel"@nl .
csc:SGNBVLSWZMBQTH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:312822 ;
dbo:casNumber "474-62-4" ;
dbo:formula "C28H48O" ;
dbo:inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3" ;
dbo:iupacName "17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "312822"^^xsd:int ;
dbo:smiles "CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=SGNBVLSWZMBQTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campEsrol" ;
skos:prefLabel "campesterol"@nl .
csc:CHEMONTID_0004239
skos:narrower csc:QYPPRTNMGCREIM-UHFFFAOYSA-N , csc:OGGXGZAMXPVRFZ-UHFFFAOYSA-N .
csc:RYMZZMVNJRMUDD-HGQWONQESA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54454 ;
dbo:casNumber "79902-63-9" ;
dbo:formula "C25H38O5" ;
dbo:inchi "InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1" ;
dbo:iupacName "[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate"@en ;
dbo:pubchem "54454"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C" ;
dbp:inchikey "InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N" ;
skos:broader csc:CHEMONTID_0001244 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simvstne" ;
skos:prefLabel "simvastatine"@nl .
csc:ABOOPXYCKNFDNJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:178795 ;
dbo:casNumber "76578-12-6" , "95977-28-9" ;
dbo:formula "C17H13ClN2O4" ;
dbo:inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)" ;
dbo:iupacName "2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "178795"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "InChIKey=ABOOPXYCKNFDNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfp" ;
skos:prefLabel "quizalofop"@nl .
csc:ZESRJSPZRDMNHY-YFWFAHHUSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6166 ;
dbo:casNumber "64-85-7" ;
dbo:formula "C21H30O3" ;
dbo:inchi "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6166"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C" ;
dbp:inchikey "InChIKey=ZESRJSPZRDMNHY-YFWFAHHUSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dOxctctrn" ;
skos:prefLabel "deoxycorticosteron"@nl .
csc:CUBICSJJYOPOIA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29995 ;
dbo:casNumber "20189-42-8" ;
dbo:formula "C7H9NO2" ;
dbo:inchi "InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)" ;
dbo:iupacName "3-ethyl-4-methylpyrrole-2,5-dione"@en ;
dbo:pubchem "29995"^^xsd:int ;
dbo:smiles "CCC1=C(C(=O)NC1=O)C" ;
dbp:inchikey "InChIKey=CUBICSJJYOPOIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003203 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2y4C1yprl2" ;
skos:prefLabel "3-ethyl-4-methylpyrrol-2,5-dion"@nl .
csc:MIOPJNTWMNEORI-XVKPBYJWSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6992131 ;
dbo:casNumber "3144-16-9" ;
dbo:formula "C10H15O4S-" ;
dbo:inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1" ;
dbo:iupacName "[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate"@en ;
dbo:pubchem "6992131"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C" ;
dbp:inchikey "InChIKey=MIOPJNTWMNEORI-XVKPBYJWSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campsfzr" ;
skos:prefLabel "camphorsulfonzuur"@nl .
csc:WXCMHFPAUCOJIG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6669 ;
dbo:casNumber "81-14-1" ;
dbo:formula "C14H18N2O5" ;
dbo:inchi "InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3" ;
dbo:iupacName "1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone"@en ;
dbo:pubchem "6669"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C" ;
dbp:inchikey "InChIKey=WXCMHFPAUCOJIG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "muskketn" ;
skos:prefLabel "musk keton"@nl .
csc:PCHJSUWPFVWCPO-OUBTZVSYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66274 ;
dbo:casNumber "10043-49-9" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au/i1+1" ;
dbo:iupacName "gold-198"@en ;
dbo:pubchem "66274"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "InChIKey=PCHJSUWPFVWCPO-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au198" ;
skos:prefLabel "goud 198"@nl .
vlcs:chemische_stof a skos:ConceptScheme ;
xkos:belongsTo omg_dataset:codelijst-chemische_stof ;
xkos:levels list:kingdom ;
skos:definition "Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt."@nl ;
skos:hasTopConcept csc:CHEMONTID_0000001 , csc:CHEMONTID_0000000 ;
skos:prefLabel "Conceptschema Chemische Stoffen"@nl .
csc:XITQUSLLOSKDTB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15787 ;
dbo:casNumber "51274-07-8" , "1836-75-5" ;
dbo:formula "C12H7Cl2NO3" ;
dbo:inchi "InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H" ;
dbo:iupacName "2,4-Dichloro-1-(4-nitrophenoxy)benzene"@en ;
dbo:pubchem "15787"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=XITQUSLLOSKDTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2fn" ;
skos:prefLabel "nitrofen"@nl .
csc:IJGRMHOSHXDMSA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:947 ;
dbo:casNumber "7727-37-9" , "161728-27-4" , "93037-13-9" , "156457-45-3" ;
dbo:formula "N2" ;
dbo:inchi "InChI=1S/N2/c1-2" ;
dbo:iupacName "molecular nitrogen"@en ;
dbo:pubchem "947"^^xsd:int ;
dbo:smiles "N#N" ;
dbp:inchikey "InChIKey=IJGRMHOSHXDMSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2" ;
skos:prefLabel "distikstof"@nl .
csc:WUYJXWRFOUCHEB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22796 ;
dbo:casNumber "88-05-1" , "6334-11-8" ;
dbo:formula "C9H14ClN" ;
dbo:inchi "InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H" ;
dbo:iupacName "(2,4,6-trimethylphenyl)azanium chloride"@en ;
dbo:pubchem "22796"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)[NH3+])C.[Cl-]" ;
dbp:inchikey "InChIKey=WUYJXWRFOUCHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yAn" ;
skos:prefLabel "2,4,6-trimethylaniline"@nl .
csc:RNABGKOKSBUFHW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12064 ;
dbo:casNumber "618-62-2" , "33150-95-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H" ;
dbo:iupacName "1,3-Dichloro-5-nitrobenzene"@en ;
dbo:pubchem "12064"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RNABGKOKSBUFHW-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dichloor-5-nitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DCl5NO2Ben" ;
skos:prefLabel "3,5-dichloornitrobenzeen"@nl .
csc:CHEMONTID_0004297
skos:narrower csc:OYIKARCXOQLFHF-UHFFFAOYSA-N , csc:IYIKLHRQXLHMJQ-UHFFFAOYSA-N .
csc:UGCSPKPEHQEOSR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6427 ;
dbo:casNumber "76-12-0" ;
dbo:formula "C2Cl4F2" ;
dbo:inchi "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" ;
dbo:iupacName "1,1,2,2-Tetrachloro-1,2-difluoroethane"@en ;
dbo:pubchem "6427"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=UGCSPKPEHQEOSR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK112" ;
skos:prefLabel "1,1,2,2-tetrachloor-1,2-difluorethaan"@nl .
csc:MRMOZBOQVYRSEM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6511 ;
dbo:casNumber "78-00-2" ;
dbo:formula "C8H20Pb" ;
dbo:inchi "InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;" ;
dbo:iupacName "Tetraethylplumbane"@en ;
dbo:pubchem "6511"^^xsd:int ;
dbo:smiles "CC[Pb](CC)(CC)CC" ;
dbp:inchikey "InChIKey=MRMOZBOQVYRSEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004289 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yPb" ;
skos:prefLabel "tetraethyllood"@nl .
csc:VSZGPKBBMSAYNT-RRFJBIMHSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65028 ;
dbo:casNumber "196618-13-0" ;
dbo:formula "C16H28N2O4" ;
dbo:inchi "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1" ;
dbo:iupacName "ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate"@en ;
dbo:pubchem "65028"^^xsd:int ;
dbo:smiles "CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC" ;
dbp:inchikey "InChIKey=VSZGPKBBMSAYNT-RRFJBIMHSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ostmvr" ;
skos:prefLabel "oseltamivir"@nl .
csc:KOMNUTZXSVSERR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13931 ;
dbo:casNumber "109521-50-8" , "196519-94-5" , "123339-46-8" , "1025-15-6" ;
dbo:formula "C12H15N3O3" ;
dbo:inchi "InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2" ;
dbo:iupacName "1,3,5-tri(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "13931"^^xsd:int ;
dbo:smiles "C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C" ;
dbp:inchikey "InChIKey=KOMNUTZXSVSERR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135Talicaurt" ;
skos:prefLabel "1,3,5-triallylisocyanuraat"@nl .
csc:BRWIZMBXBAOCCF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6583 ;
dbo:casNumber "79-19-6" ;
dbo:formula "CH5N3S" ;
dbo:inchi "InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)" ;
dbo:iupacName "aminothiourea"@en ;
dbo:pubchem "6583"^^xsd:int ;
dbo:smiles "C(=NN)(N)S" ;
dbp:inchikey "InChIKey=BRWIZMBXBAOCCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tosmcbzde" ;
skos:prefLabel "thiosemicarbazide"@nl .
csc:QZYHIOPPLUPUJF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7422 ;
dbo:casNumber "99-08-1" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "1-Methyl-3-nitrobenzene"@en ;
dbo:pubchem "7422"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QZYHIOPPLUPUJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Tol" ;
skos:prefLabel "3-nitrotolueen"@nl .
csc:CHEMONTID_0001470
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001470 ;
skos:definition "Inorganic compounds containing a metallic oxoanion to which either no atom or a non metal atom is bonded."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001470" ;
skos:prefLabel "Miscellaneous metallic oxoanionic compounds"@en .
csc:HEWDOWUUTBCVJP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10676 ;
dbo:casNumber "525-37-1" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "NAPHTHALENE-1,6-DISULFONIC ACID"@en ;
dbo:pubchem "10676"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=HEWDOWUUTBCVJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16NafDsfzr" ;
skos:prefLabel "1,6-naftaleendisulfonzuur"@nl .
csc:ZNSMNVMLTJELDZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8115 ;
dbo:casNumber "92091-28-6" , "111-44-4" ;
dbo:formula "C4H8Cl2O" ;
dbo:inchi "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxy)ethane"@en ;
dbo:pubchem "8115"^^xsd:int ;
dbo:smiles "C(CCl)OCCCl" ;
dbp:inchikey "InChIKey=ZNSMNVMLTJELDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClDC2yEtr" ;
skos:prefLabel "2,2-dichloordiethylether"@nl .
csc:GAFWRUXZGSUTHS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25741 ;
dbo:casNumber "13142-64-8" ;
dbo:formula "C8H9ClN2O" ;
dbo:inchi "InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)" ;
dbo:iupacName "(3-CHLORO-4-METHYLPHENYL)UREA"@en ;
dbo:pubchem "25741"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)NC(=O)N)Cl" ;
dbp:inchikey "InChIKey=GAFWRUXZGSUTHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1yFyura" ;
skos:prefLabel "(3-chloor-4-methylfenyl)urea"@nl .
csc:UGPWRRVOLLMHSC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74816 ;
dbo:casNumber "1999-85-5" ;
dbo:formula "C12H18O2" ;
dbo:inchi "InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3" ;
dbo:iupacName "2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol"@en ;
dbo:pubchem "74816"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=CC=C1)C(C)(C)O)O" ;
dbp:inchikey "InChIKey=UGPWRRVOLLMHSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aaDHOxDiC3yB" ;
skos:prefLabel "alfa,alfa'-dihydroxy-1,3-diisopropylbenzeen"@nl .
csc:SGVYKUFIHHTIFL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13379 ;
dbo:casNumber "34464-38-5" , "68551-17-7" , "63335-88-6" , "68551-16-6" , "871-83-0" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3" ;
dbo:iupacName "2-Methylnonane"@en ;
dbo:pubchem "13379"^^xsd:int ;
dbo:smiles "CCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=SGVYKUFIHHTIFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC9a" ;
skos:prefLabel "2-methylnonaan"@nl .
csc:ZOKXTWBITQBERF-AKLPVKDBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104976 ;
dbo:casNumber "14119-15-4" ;
dbo:formula "Mo" ;
dbo:inchi "InChI=1S/Mo/i1+3" ;
dbo:iupacName "molybdenum-99"@en ;
dbo:pubchem "104976"^^xsd:int ;
dbo:smiles "[Mo]" ;
dbp:inchikey "InChIKey=ZOKXTWBITQBERF-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mo99" ;
skos:prefLabel "molybdeen 99"@nl .
csc:RUVINXPYWBROJD-ONEGZZNKSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637563 ;
dbo:casNumber "57131-42-7" , "109957-71-3" , "4180-23-8" , "8022-08-0" , "50770-19-9" , "104-46-1" , "12002-40-3" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+" ;
dbo:iupacName "['1-methoxy-4-[(E)-prop-1-enyl]benzene', '1-methoxy-4-prop-1-enylbenzene']"@en ;
dbo:pubchem "637563"^^xsd:int ;
dbo:smiles "CC=CC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=RUVINXPYWBROJD-ONEGZZNKSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1ox41C3yeb" ;
skos:prefLabel "1-methoxy-4-(1-propenyl)benzeen"@nl .
csc:NNJVILVZKWQKPM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3676 ;
dbo:casNumber "8059-42-5" , "91484-71-8" , "137-58-6" , "8059-66-3" ;
dbo:formula "C14H22N2O" ;
dbo:inchi "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" ;
dbo:iupacName "2-diethylamino-N-(2,6-dimethylphenyl)acetamide"@en ;
dbo:pubchem "3676"^^xsd:int ;
dbo:smiles "CCN(CC)CC(=O)NC1=C(C=CC=C1C)C" ;
dbp:inchikey "InChIKey=NNJVILVZKWQKPM-UHFFFAOYSA-N" ;
skos:altLabel "lidocaine"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lidcine" ;
skos:prefLabel "lidocaïne"@nl .
csc:CHEMONTID_0004361
skos:narrower csc:XQZXYNRDCRIARQ-LURJTMIESA-N , csc:TYYBFXNZMFNZJT-UHFFFAOYSA-N , csc:NJKDOADNQSYQEV-UHFFFAOYSA-N , csc:NBQNWMBBSKPBAY-UHFFFAOYSA-N , csc:FFINMCNLQNTKLU-UHFFFAOYSA-N .
csc:HSZLKTCKAYXVBX-DCAGQSADSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6440708 ;
dbo:casNumber "1405-27-2" , "24916-52-7" , "33299-71-7" , "11001-07-3" , "13429-99-7" , "13441-33-3" , "1403-59-4" , "13445-44-8" , "23410-82-4" , "203005-19-0" ;
dbo:formula "C46H78N2O15" ;
dbo:inchi "InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1" ;
dbo:iupacName "[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate"@en ;
dbo:pubchem "6440708"^^xsd:int ;
dbo:smiles "CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C)C" ;
dbp:inchikey "InChIKey=HSZLKTCKAYXVBX-DCAGQSADSA-N" ;
skos:altLabel "spiramycine iii"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcIII" ;
skos:prefLabel "spiramycine III"@nl .
csc:OEBRKCOSUFCWJD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3039 ;
dbo:casNumber "55819-32-4" , "116788-91-1" , "62139-95-1" , "8076-16-2" , "62655-59-8" , "12772-40-6" , "95828-55-0" , "11095-17-3" , "11126-72-0" , "8072-21-7" , "8023-22-1" , "62-73-7" , "11096-21-2" , "11111-31-2" , "8072-39-7" ;
dbo:formula "C4H7Cl2O4P" ;
dbo:inchi "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" ;
dbo:iupacName "['2,2-Dichloroethenyl dimethyl phosphate', '2,2-dichloroethenoxy-hydroxy-dimethoxyphosphanium']"@en ;
dbo:pubchem "3039"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC=C(Cl)Cl" ;
dbp:inchikey "InChIKey=OEBRKCOSUFCWJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:exactMatch wise:CAS_62-73-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClvs" ;
skos:prefLabel "dichloorvos"@nl ;
vcs:vmmParameterId "391"^^xsd:int .
csc:CHEMONTID_0004759
skos:narrower csc:QTDRLOKFLJJHTG-UHFFFAOYSA-N .
csc:DSAJWYNOEDNPEQ-AHCXROLUSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5491664 ;
dbo:casNumber "13981-41-4" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba/i1-4" ;
dbo:iupacName "barium-133"@en ;
dbo:pubchem "5491664"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "InChIKey=DSAJWYNOEDNPEQ-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba133" ;
skos:prefLabel "barium 133"@nl .
csc:SIKJAQJRHWYJAI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:798 ;
dbo:casNumber "120-72-9" ;
dbo:formula "C8H7N" ;
dbo:inchi "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" ;
dbo:iupacName "1H-Indole"@en ;
dbo:pubchem "798"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CN2" ;
dbp:inchikey "InChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indl" ;
skos:prefLabel "indol"@nl .
csc:VYKLRWGPNUVKNC-AATRIKPKSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5371267 ;
dbo:casNumber "38274-01-0" ;
dbo:formula "C13H20O3" ;
dbo:inchi "InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+" ;
dbo:iupacName "(E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one"@en ;
dbo:pubchem "5371267"^^xsd:int ;
dbo:smiles "CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C" ;
dbp:inchikey "InChIKey=VYKLRWGPNUVKNC-AATRIKPKSA-N" ;
skos:broader csc:CHEMONTID_0001729 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HOx12DHbjnn" ;
skos:prefLabel "4-hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide"@nl .
csc:WSORODGWGUUOBO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15415 ;
dbo:casNumber "1634-78-2" ;
dbo:formula "C10H19O7PS" ;
dbo:inchi "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3" ;
dbo:iupacName "['(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium', 'diethyl 2-dimethoxyphosphorylsulfanylbutanedioate']"@en ;
dbo:pubchem "15415"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=WSORODGWGUUOBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malOon" ;
skos:prefLabel "malaoxon"@nl .
csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16422 ;
dbo:casNumber "2104-96-3" , "12778-42-6" , "12778-41-5" ;
dbo:formula "C8H8BrCl2O3PS" ;
dbo:inchi "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "16422"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl" ;
dbp:inchikey "InChIKey=NYQDCVLCJXRDSK-UHFFFAOYSA-N" ;
skos:altLabel "bromofos-methyl"@nl , "methylbromofos"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_2104-96-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yBrfs" ;
skos:prefLabel "bromophos"@nl ;
vcs:vmmParameterId "685"^^xsd:int .
csc:CHEMONTID_0002448
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002448 ;
skos:definition "Aromatic compounds containing one or more benzene rings."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002448" ;
skos:prefLabel "Benzenoids"@en .
csc:LFHISGNCFUNFFM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6423 ;
dbo:casNumber "76-06-2" ;
dbo:formula "CCl3NO2" ;
dbo:inchi "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7" ;
dbo:iupacName "trichloro-nitromethane"@en ;
dbo:pubchem "6423"^^xsd:int ;
dbo:smiles "C([N+](=O)[O-])(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=LFHISGNCFUNFFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpcne" ;
skos:prefLabel "chloorpicrine"@nl .
csc:ACTRVOBWPAIOHC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9354 ;
dbo:casNumber "304-55-2" , "2418-14-6" ;
dbo:formula "C4H6O4S2" ;
dbo:inchi "InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)" ;
dbo:iupacName "2,3-bis-sulfanylbutanedioic acid"@en ;
dbo:pubchem "9354"^^xsd:int ;
dbo:smiles "C(C(C(=O)O)S)(C(=O)O)S" ;
dbp:inchikey "InChIKey=ACTRVOBWPAIOHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001423 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "succmr" ;
skos:prefLabel "succimer"@nl .
csc:OIPMQULDKWSNGX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328269 ;
dbo:casNumber "39148-24-8" ;
dbo:formula "C6H15AlO9P3+3" ;
dbo:inchi "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" ;
dbo:iupacName "aluminum ethoxy-oxido-oxophosphanium"@en ;
dbo:pubchem "6328269"^^xsd:int ;
dbo:smiles "CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]" ;
dbp:inchikey "InChIKey=OIPMQULDKWSNGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosC2yAl" ;
skos:prefLabel "fosetyl-aluminium"@nl .
csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9117 ;
dbo:casNumber "191-24-2" ;
dbo:formula "C22H12" ;
dbo:inchi "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H" ;
dbo:iupacName "hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene"@en ;
dbo:pubchem "9117"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2" ;
dbp:inchikey "InChIKey=GYFAGKUZYNFMBN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(g,h,i)peryleen (b)"@nl , "benzo(ghi)peryleen"@nl , "benzo(g,h,i)peryleen"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_191-24-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BghiPe" ;
skos:prefLabel "benzo(g,h,i)pery-leen"@nl ;
vcs:vmmParameterId "1425"^^xsd:int , "423"^^xsd:int .
csc:BSWWXRFVMJHFBN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1483 ;
dbo:casNumber "118-79-6" ;
dbo:formula "C6H3Br3O" ;
dbo:inchi "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" ;
dbo:iupacName "2,4,6-Tribromophenol"@en ;
dbo:pubchem "1483"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)O)Br)Br" ;
dbp:inchikey "InChIKey=BSWWXRFVMJHFBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002769 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TBrFol" ;
skos:prefLabel "2,4,6-tribroomfenol"@nl .
csc:CHEMONTID_0000137
skos:narrower csc:XWTYSIMOBUGWOL-UHFFFAOYSA-N , csc:GHMLBKRAJCXXBS-UHFFFAOYSA-N , csc:DNZXWDUPPLHSQL-UHFFFAOYSA-N .
csc:OKIBNKKYNPBDRS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40896 ;
dbo:casNumber "53780-34-0" , "55584-91-3" , "55599-99-0" ;
dbo:formula "C11H13F3N2O3S" ;
dbo:inchi "InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)" ;
dbo:iupacName "N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide"@en ;
dbo:pubchem "40896"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C" ;
dbp:inchikey "InChIKey=OKIBNKKYNPBDRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mefidde" ;
skos:prefLabel "mefluidide"@nl .
csc:ZPCCSZFPOXBNDL-RSMXASMKSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282173 ;
dbo:casNumber "23684-35-7" , "1405-26-1" , "23684-34-6" , "18810-02-1" , "1403-58-3" , "24916-51-6" ;
dbo:formula "C45H76N2O15" ;
dbo:inchi "InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1" ;
dbo:iupacName "[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate"@en ;
dbo:pubchem "5282173"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "InChIKey=ZPCCSZFPOXBNDL-RSMXASMKSA-N" ;
skos:altLabel "spiramycine II"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcII" ;
skos:prefLabel "spiramycine ii"@nl .
csc:DSKJPMWIHSOYEA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38884 ;
dbo:casNumber "58694-46-5" , "41483-43-6" ;
dbo:formula "C13H24N4O3S" ;
dbo:inchi "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" ;
dbo:iupacName "(5-butyl-2-ethylamino-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate"@en ;
dbo:pubchem "38884"^^xsd:int ;
dbo:smiles "CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C" ;
dbp:inchikey "InChIKey=DSKJPMWIHSOYEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001262 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "buprmt" ;
skos:prefLabel "bupirimaat"@nl .
csc:CHEMONTID_0001279
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001279 ;
skos:definition "Compounds containing having two beta-haloalkyl groups bound to a sulfur atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QKSKPIVNLNLAAV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001279" ;
skos:prefLabel "Sulfur mustard compounds"@en .
csc:IDSKMUOSMAUASS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33241 ;
dbo:casNumber "431-06-1" ;
dbo:formula "C2H2Cl2F2" ;
dbo:inchi "InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H" ;
dbo:iupacName "1,2-Dichloro-1,2-difluoroethane"@en ;
dbo:pubchem "33241"^^xsd:int ;
dbo:smiles "C(C(F)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=IDSKMUOSMAUASS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK132" ;
skos:prefLabel "1,2-dichloor-1,2-difluorethaan"@nl .
csc:CJAOGUFAAWZWNI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7490 ;
dbo:casNumber "27215-51-6" , "100-22-1" ;
dbo:formula "C10H16N2" ;
dbo:inchi "InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3" ;
dbo:iupacName "N,N,N',N'-tetramethylbenzene-1,4-diamine"@en ;
dbo:pubchem "7490"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "InChIKey=CJAOGUFAAWZWNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TMPD" ;
skos:prefLabel "tetramethyl-1,4-benzeendiamine"@nl .
csc:UKHVLWKBNNSRRR-TYYBGVCCSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433396 ;
dbo:casNumber "60789-82-4" , "4080-31-3" , "103638-29-5" ;
dbo:formula "C9H16Cl2N4" ;
dbo:inchi "InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;" ;
dbo:iupacName "1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride"@en ;
dbo:pubchem "6433396"^^xsd:int ;
dbo:smiles "C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]" ;
dbp:inchikey "InChIKey=UKHVLWKBNNSRRR-TYYBGVCCSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13Clal357Taz" ;
skos:prefLabel "1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride"@nl .
csc:ZMZDMBWJUHKJPS-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9322 ;
dbo:casNumber "37223-05-5" , "60168-45-8" , "1111-68-8" , "60773-55-9" , "71048-69-6" , "302-04-5" , "70874-95-2" , "81210-01-7" , "62476-95-3" , "69924-38-5" ;
dbo:formula "CNS-" ;
dbo:inchi "InChI=1S/CHNS/c2-1-3/h3H/p-1" ;
dbo:iupacName "thiocyanate"@en ;
dbo:pubchem "9322"^^xsd:int ;
dbo:smiles "C(#N)[S-]" ;
dbp:inchikey "InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "thiocyanaten"@nl .
csc:BVUXDWXKPROUDO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20087 ;
dbo:casNumber "4130-92-1" , "4130-42-1" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3" ;
dbo:iupacName "2,6-ditert-butyl-4-ethylphenol"@en ;
dbo:pubchem "20087"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=BVUXDWXKPROUDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4y4C2y" ;
skos:prefLabel "2,6-di-tert-butyl-4-ethylfenol"@nl .
csc:CHEMONTID_0000195
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000195 ;
skos:definition "Compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000195" ;
skos:prefLabel "Piperidines"@en .
csc:CHEMONTID_0000201
skos:narrower csc:GVJHHUAWPYXKBD-IEOSBIPESA-N .
csc:BNCADMBVWNPPIZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62479 ;
dbo:casNumber "11098-24-1" , "66565-50-2" , "174805-33-5" , "3089-11-0" , "37331-82-1" ;
dbo:formula "C15H30N6O6" ;
dbo:inchi "InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3" ;
dbo:iupacName "N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "62479"^^xsd:int ;
dbo:smiles "COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC" ;
dbp:inchikey "InChIKey=BNCADMBVWNPPIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxkC1oxC1yml" ;
skos:prefLabel "hexakis(methoxymethyl)melamine"@nl .
csc:GWESVXSMPKAFAS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12763 ;
dbo:casNumber "696-29-7" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "propan-2-ylcyclohexane"@en ;
dbo:pubchem "12763"^^xsd:int ;
dbo:smiles "CC(C)C1CCCCC1" ;
dbp:inchikey "InChIKey=GWESVXSMPKAFAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yccC6a" ;
skos:prefLabel "isopropylcyclohexaan"@nl .
csc:UFWIBTONFRDIAS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:931 ;
dbo:casNumber "72931-45-4" , "68412-25-9" , "91-20-3" ;
dbo:formula "C10H8" ;
dbo:inchi "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" ;
dbo:iupacName "NAPHTHALENE"@en ;
dbo:pubchem "931"^^xsd:int ;
dbo:smiles "C1=CC=C2C=CC=CC2=C1" ;
dbp:inchikey "InChIKey=UFWIBTONFRDIAS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "naftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_91-20-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf" ;
skos:prefLabel "naftaleen "@nl ;
vcs:vmmParameterId "432"^^xsd:int , "1433"^^xsd:int .
csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8900 ;
dbo:casNumber "8031-33-2" , "142-82-5" , "44607-13-8" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" ;
dbo:iupacName "HEPTANE"@en ;
dbo:pubchem "8900"^^xsd:int ;
dbo:smiles "CCCCCCC" ;
dbp:inchikey "InChIKey=IMNFDUFMRHMDMM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_006 , co:WAC_IV_A_016 ;
skos:altLabel "n-heptaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7a" ;
skos:prefLabel "heptaan"@nl .
csc:CHEMONTID_0003569
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003569 ;
skos:definition "Steroids with a structure based on the 21-carbon pregnane skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003569" ;
skos:prefLabel "Pregnane steroids"@en .
csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6853 ;
dbo:casNumber "86-73-7" , "84987-80-4" , "2299-68-5" ;
dbo:formula "C13H10" ;
dbo:inchi "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2" ;
dbo:iupacName "9H-Fluorene"@en ;
dbo:pubchem "6853"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2C3=CC=CC=C31" ;
dbp:inchikey "InChIKey=NIHNNTQXNPWCJQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000020 ;
skos:exactMatch wise:CAS_86-73-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fle" ;
skos:prefLabel "fluoreen"@nl ;
vcs:vmmParameterId "430"^^xsd:int , "1431"^^xsd:int .
csc:FVFVNNKYKYZTJU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18831 ;
dbo:casNumber "3397-62-4" ;
dbo:formula "C3H4ClN5" ;
dbo:inchi "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" ;
dbo:iupacName "6-Chloro-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "18831"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)Cl)N)N" ;
dbp:inchikey "InChIKey=FVFVNNKYKYZTJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl46Daotazn" ;
skos:prefLabel "2-chloor-4,6-diamino-1,3,5-triazine"@nl .
csc:FYZBOYWSHKHDMT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54886 ;
dbo:casNumber "88650-68-4" , "82560-54-1" ;
dbo:formula "C20H30N2O5S" ;
dbo:inchi "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" ;
dbo:iupacName "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate"@en ;
dbo:pubchem "54886"^^xsd:int ;
dbo:smiles "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "InChIKey=FYZBOYWSHKHDMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benfrcb" ;
skos:prefLabel "benfuracarb"@nl .
csc:CHEMONTID_0003086
skos:narrower csc:OBETXYAYXDNJHR-UHFFFAOYSA-N , csc:ZDPHROOEEOARMN-UHFFFAOYSA-N , csc:PKJSRUTWBDIWAR-UHFFFAOYSA-N , csc:MNWFXJYAOYHMED-UHFFFAOYSA-N , csc:JZHDEEOTEUVLHR-UHFFFAOYSA-N , csc:SLXKOJJOQWFEFD-UHFFFAOYSA-N , csc:FUZZWVXGSFPDMH-UHFFFAOYSA-N , csc:FBUKVWPVBMHYJY-UHFFFAOYSA-N , csc:POULHZVOKOAJMA-UHFFFAOYSA-N , csc:FRPZMMHWLSIFAZ-UHFFFAOYSA-N , csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N , csc:WSWCOQWTEOXDQX-MQQKCMAXSA-N , csc:JZRCRCFPVAXHHQ-UHFFFAOYSA-N , csc:MBGYSHXGENGTBP-UHFFFAOYSA-N , csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N .
csc:HJIUPFPIEBPYIE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10813 ;
dbo:casNumber "535-89-7" ;
dbo:formula "C7H10ClN3" ;
dbo:inchi "InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3" ;
dbo:iupacName "2-chloro-N,N,6-trimethylpyrimidin-4-amine"@en ;
dbo:pubchem "10813"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)Cl)N(C)C" ;
dbp:inchikey "InChIKey=HJIUPFPIEBPYIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crimdne" ;
skos:prefLabel "crimidine"@nl .
csc:VILCJCGEZXAXTO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5565 ;
dbo:casNumber "110670-33-2" , "71124-11-3" , "14175-14-5" , "112-24-3" , "105093-20-7" , "39421-77-7" ;
dbo:formula "C6H18N4" ;
dbo:inchi "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2" ;
dbo:iupacName "N,N'-bis(2-aminoethyl)ethane-1,2-diamine"@en ;
dbo:pubchem "5565"^^xsd:int ;
dbo:smiles "C(CNCCNCCN)N" ;
dbp:inchikey "InChIKey=VILCJCGEZXAXTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yeT4Ae" ;
skos:prefLabel "triethyleentetramine"@nl .
csc:FLKPEMZONWLCSK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6781 ;
dbo:casNumber "84-66-2" , "68988-18-1" ;
dbo:formula "C12H14O4" ;
dbo:inchi "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6781"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=CC=C1C(=O)OCC" ;
dbp:inchikey "InChIKey=FLKPEMZONWLCSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-66-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yFt" ;
skos:prefLabel "diethylftalaat"@nl ;
vcs:vmmParameterId "63"^^xsd:int .
csc:CHEMONTID_0002485
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002485 ;
skos:definition "Organic compounds containing a functional group with the structure RSH (R = organyl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002485" ;
skos:prefLabel "Thiols"@en .
csc:SODPIMGUZLOIPE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26229 ;
dbo:casNumber "122-88-3" ;
dbo:formula "C8H7ClO3" ;
dbo:inchi "InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)" ;
dbo:iupacName "2-(4-chlorophenoxy)acetic acid"@en ;
dbo:pubchem "26229"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OCC(=O)O)Cl" ;
dbp:inchikey "InChIKey=SODPIMGUZLOIPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CPA" ;
skos:prefLabel "4-chloorfenoxyazijnzuur"@nl .
csc:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11776 ;
dbo:casNumber "112771-47-8" , "603-35-0" ;
dbo:formula "C18H15P" ;
dbo:inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "tri(phenyl)phosphane"@en ;
dbo:pubchem "11776"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=RIOQSEWOXXDEQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfyffne" ;
skos:prefLabel "trifenylfosfine"@nl .
csc:HERSSAVMHCMYSQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16 ;
dbo:casNumber "56403-09-9" ;
dbo:formula "C12H22N2O2" ;
dbo:inchi "InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)" ;
dbo:iupacName "1,8-Diazacyclotetradecane-2,9-dione"@en ;
dbo:pubchem "16"^^xsd:int ;
dbo:smiles "C1CCC(=O)NCCCCCC(=O)NCC1" ;
dbp:inchikey "InChIKey=HERSSAVMHCMYSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000064 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "18DazccC14a2" ;
skos:prefLabel "1,8-diazacyclotetradecaan-2,9-dion"@nl .
csc:ULDHMXUKGWMISQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7439 ;
dbo:casNumber "99-49-0" , "22327-39-5" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3" ;
dbo:iupacName "2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one"@en ;
dbo:pubchem "7439"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1=O)C(=C)C" ;
dbp:inchikey "InChIKey=ULDHMXUKGWMISQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carvn" ;
skos:prefLabel "carvon"@nl .
csc:NZMAJUHVSZBJHL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12975 ;
dbo:casNumber "761-65-9" ;
dbo:formula "C9H19NO" ;
dbo:inchi "InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3" ;
dbo:iupacName "N,N-DIBUTYLFORMAMIDE"@en ;
dbo:pubchem "12975"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)C=O" ;
dbp:inchikey "InChIKey=NZMAJUHVSZBJHL-UHFFFAOYSA-N" ;
skos:altLabel "N,N-dibutylformamide"@nl ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC4yfAd" ;
skos:prefLabel "n,n-dibutylformamide"@nl .
csc:AWBIJARKDOFDAN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32803 ;
dbo:casNumber "1331-15-3" , "25136-55-4" , "15176-21-3" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2,5-dimethyl-1,4-dioxane"@en ;
dbo:pubchem "32803"^^xsd:int ;
dbo:smiles "CC1COC(CO1)C" ;
dbp:inchikey "InChIKey=AWBIJARKDOFDAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001313 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1y14DOxa" ;
skos:prefLabel "2,5-dimethyl-1,4-dioxaan"@nl .
csc:OPXLLQIJSORQAM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4030 ;
dbo:casNumber "31431-39-7" ;
dbo:formula "C16H13N3O3" ;
dbo:inchi "InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)" ;
dbo:iupacName "methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "4030"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=OPXLLQIJSORQAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebdzl" ;
skos:prefLabel "mebendazol"@nl .
csc:RECCURWJDVZHIH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8796 ;
dbo:casNumber "1967-26-6" , "140-38-5" ;
dbo:formula "C7H7ClN2O" ;
dbo:inchi "InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" ;
dbo:iupacName "(4-CHLOROPHENYL)UREA"@en ;
dbo:pubchem "8796"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=O)N)Cl" ;
dbp:inchikey "InChIKey=RECCURWJDVZHIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14ClFyurum" ;
skos:prefLabel "1-(4-chloorfenyl)ureum"@nl .
csc:CHEMONTID_0003633
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003633 ;
skos:definition "Organic 1,3-dipolar compounds with the general structure X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003633" ;
skos:prefLabel "Propargyl-type 1,3-dipolar organic compounds"@en .
csc:UPVZPMJSRSWJHQ-HTXSYXIBSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:87529 ;
dbo:casNumber "18252-44-3" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m0/s1" ;
dbo:iupacName "(1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane"@en ;
dbo:pubchem "87529"^^xsd:int ;
dbo:smiles "CC(C)C1CCC2(C3C1C2C(=C)CC3)C" ;
dbp:inchikey "InChIKey=UPVZPMJSRSWJHQ-HTXSYXIBSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bcpene" ;
skos:prefLabel "beta-copaene"@nl .
csc:HWHLPVGTWGOCJO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5572 ;
dbo:casNumber "144-11-6" ;
dbo:formula "C20H31NO" ;
dbo:inchi "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2" ;
dbo:iupacName "1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol"@en ;
dbo:pubchem "5572"^^xsd:int ;
dbo:smiles "C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O" ;
dbp:inchikey "InChIKey=HWHLPVGTWGOCJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Thxfidl" ;
skos:prefLabel "trihexyfenidyl"@nl .
csc:OGPBJKLSAFTDLK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23981 ;
dbo:casNumber "110123-53-0" , "7440-53-1" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu" ;
dbo:iupacName "EUROPIUM"@en ;
dbo:pubchem "23981"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu" ;
skos:prefLabel "europium"@nl .
csc:CHEMONTID_0000174
skos:narrower csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N , csc:AVKUERGKIZMTKX-NJBDSQKTSA-N .
csc:CHEMONTID_0004149
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004149 ;
skos:definition "Polycyclic organic compounds made up only of carbon and hydrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HECLRDQVFMWTQS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004149" ;
skos:prefLabel "Polycyclic hydrocarbons"@en .
csc:CBCKQZAAMUWICA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7814 ;
dbo:casNumber "106-50-3" , "56481-76-6" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,4-diamine"@en ;
dbo:pubchem "7814"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)N" ;
dbp:inchikey "InChIKey=CBCKQZAAMUWICA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DAoBen" ;
skos:prefLabel "1,4-diaminobenzeen"@nl .
csc:CHEMONTID_0001322
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001322 ;
skos:definition "Compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001322" ;
skos:prefLabel "Pyridinecarboxylic acids and derivatives"@en .
csc:CHEMONTID_0004292
skos:narrower csc:JZUFKLXOESDKRF-UHFFFAOYSA-N .
csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2087 ;
dbo:casNumber "309-00-2" ;
dbo:formula "C12H8Cl6" ;
dbo:inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2" ;
dbo:iupacName "1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene"@en ;
dbo:pubchem "2087"^^xsd:int ;
dbo:smiles "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_B_010 ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_309-00-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aldn" ;
skos:prefLabel "aldrin"@nl ;
vcs:vmmParameterId "232"^^xsd:int .
csc:CHEMONTID_0000089
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000089 ;
skos:definition "Compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PCFUWBOSXMKGIP-UHFFFAOYSA-N , csc:JUJWROOIHBZHMG-UHFFFAOYSA-N , csc:DPNGWXJMIILTBS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000089" ;
skos:prefLabel "Pyridines and derivatives"@en .
csc:ATQUFXWBVZUTKO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12746 ;
dbo:casNumber "27476-50-2" , "693-89-0" ;
dbo:formula "C6H10" ;
dbo:inchi "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3" ;
dbo:iupacName "1-Methylcyclopentene"@en ;
dbo:pubchem "12746"^^xsd:int ;
dbo:smiles "CC1=CCCC1" ;
dbp:inchikey "InChIKey=ATQUFXWBVZUTKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC5e" ;
skos:prefLabel "methylcyclopenteen"@nl .
csc:ZWPVHELAQPIZHO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38876 ;
dbo:casNumber "110866-20-1" , "41464-40-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H" ;
dbo:iupacName "2,4-dichloro-1-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38876"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ZWPVHELAQPIZHO-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,5'-tetrachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB49" ;
skos:prefLabel "2,2',4,5'-tetrachloorbifenyl (pcb49)"@nl .
csc:XWTYSIMOBUGWOL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5403 ;
dbo:casNumber "46719-29-3" , "23031-25-6" ;
dbo:formula "C12H19NO3" ;
dbo:inchi "InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3" ;
dbo:iupacName "5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol"@en ;
dbo:pubchem "5403"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O" ;
dbp:inchikey "InChIKey=XWTYSIMOBUGWOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbtlne" ;
skos:prefLabel "terbutaline"@nl .
csc:LSDPWZHWYPCBBB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:878 ;
dbo:casNumber "17719-48-1" , "74-93-1" , "63933-47-1" ;
dbo:formula "CH4S" ;
dbo:inchi "InChI=1S/CH4S/c1-2/h2H,1H3" ;
dbo:iupacName "METHANETHIOL"@en ;
dbo:pubchem "878"^^xsd:int ;
dbo:smiles "CS" ;
dbp:inchikey "InChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1atol" ;
skos:prefLabel "methaanthiol"@nl .
csc:CHEMONTID_0002464
skos:narrower csc:XEVRDFDBXJMZFG-UHFFFAOYSA-N .
csc:OGYFATSSENRIKG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91692 ;
dbo:casNumber "66063-05-6" ;
dbo:formula "C19H21ClN2O" ;
dbo:inchi "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" ;
dbo:iupacName "1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea"@en ;
dbo:pubchem "91692"^^xsd:int ;
dbo:smiles "C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=OGYFATSSENRIKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penccrn" ;
skos:prefLabel "pencycuron"@nl .
csc:RQEUFEKYXDPUSK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7408 ;
dbo:casNumber "618-36-0" , "98-84-0" , "3886-69-9" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3" ;
dbo:iupacName "1-Phenylethanamine"@en ;
dbo:pubchem "7408"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)N" ;
dbp:inchikey "InChIKey=RQEUFEKYXDPUSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1FyC2yAe" ;
skos:prefLabel "a-fenylethylamine"@nl .
csc:PCIUEQPBYFRTEM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9555 ;
dbo:casNumber "335-76-2" ;
dbo:formula "C10HF19O2" ;
dbo:inchi "InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid"@en ;
dbo:pubchem "9555"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=PCIUEQPBYFRTEM-UHFFFAOYSA-N" ;
skos:altLabel "perfluordecaanzuur (pfda)"@nl , "perfluordecaanzuur"@nl , "perfluor-n-decaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDA" ;
skos:prefLabel "perfluor-n-decaanzuur (pfda)"@nl .
csc:HKIOYBQGHSTUDB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8607 ;
dbo:casNumber "52306-33-9" , "133-07-3" ;
dbo:formula "C9H4Cl3NO2S" ;
dbo:inchi "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" ;
dbo:iupacName "2-(trichloromethylsulfanyl)isoindole-1,3-dione"@en ;
dbo:pubchem "8607"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=HKIOYBQGHSTUDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "folpt" ;
skos:prefLabel "folpet"@nl .
csc:QZCLKYGREBVARF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6505 ;
dbo:casNumber "37070-91-0" , "77-90-7" ;
dbo:formula "C20H34O8" ;
dbo:inchi "InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3" ;
dbo:iupacName "1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate"@en ;
dbo:pubchem "6505"^^xsd:int ;
dbo:smiles "CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C" ;
dbp:inchikey "InChIKey=QZCLKYGREBVARF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yactcitt" ;
skos:prefLabel "tributylacetylcitraat"@nl .
csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37035 ;
dbo:casNumber "35065-28-2" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37035"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 138"@nl , "pcb-138"@nl , "2,2',3,4,4',5'-hexachloorbifenyl (pcb138)"@nl , "PCB-138"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-28-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB138" ;
skos:prefLabel "2,2',3,4,4',5'-hexachloorbifenyl"@nl ;
vcs:vmmParameterId "1414"^^xsd:int , "436"^^xsd:int .
csc:YLQLIQIAXYRMDL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24847 ;
dbo:casNumber "10042-59-8" ;
dbo:formula "C10H22O" ;
dbo:inchi "InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "2-Propylheptan-1-ol"@en ;
dbo:pubchem "24847"^^xsd:int ;
dbo:smiles "CCCCCC(CCC)CO" ;
dbp:inchikey "InChIKey=YLQLIQIAXYRMDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3y1C7ol" ;
skos:prefLabel "2-propyl-1-heptanol"@nl .
csc:CHEMONTID_0000153
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000153 ;
skos:definition "Compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZIEWAMOXCOLNSJ-UHFFFAOYSA-N , csc:QDRXWCAVUNHOGA-UHFFFAOYSA-N , csc:OBLNWSCLAYSJJR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000153" ;
skos:prefLabel "Naphthoquinones"@en .
csc:WRMNZCZEMHIOCP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6054 ;
dbo:casNumber "60-12-8" , "1321-27-3" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" ;
dbo:iupacName "2-PHENYLETHANOL"@en ;
dbo:pubchem "6054"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCO" ;
dbp:inchikey "InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Fy2C2ol" ;
skos:prefLabel "1-fenyl-2-ethanol"@nl .
csc:VZGDMQKNWNREIO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3) "@nl ;
rdfs:seeAlso compound:5943 ;
dbo:casNumber "56-23-5" ;
dbo:formula "CCl4" ;
dbo:inchi "InChI=1S/CCl4/c2-1(3,4)5" ;
dbo:iupacName "Tetrachloromethane"@en ;
dbo:pubchem "5943"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=VZGDMQKNWNREIO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 , co:LUC_IV_000 ;
skos:altLabel "tetrachloormethaan (tetra)"@nl , "tetrachloormethaan"@nl ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_56-23-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC1a" ;
skos:prefLabel "koolstoftetrachloride"@nl ;
vcs:vmmParameterId "383"^^xsd:int .
csc:CHEMONTID_0001295
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001295 ;
skos:definition "Compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001295" ;
skos:prefLabel "Hydroxysteroids"@en .
csc:AFBPFSWMIHJQDM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7515 ;
dbo:casNumber "100-61-8" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" ;
dbo:iupacName "N-Methylaniline"@en ;
dbo:pubchem "7515"^^xsd:int ;
dbo:smiles "CNC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=AFBPFSWMIHJQDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yAn" ;
skos:prefLabel "methylaniline"@nl .
csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5558 ;
dbo:casNumber "75-25-2" , "4471-18-5" ;
dbo:formula "CHBr3" ;
dbo:inchi "InChI=1S/CHBr3/c2-1(3)4/h1H" ;
dbo:iupacName "Bromoform"@en ;
dbo:pubchem "5558"^^xsd:int ;
dbo:smiles "C(Br)(Br)Br" ;
dbp:inchikey "InChIKey=DIKBFYAXUHHXCS-UHFFFAOYSA-N" ;
skos:altLabel "bromoform"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_75-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrC1a" ;
skos:prefLabel "tribroommethaan"@nl ;
vcs:vmmParameterId "384"^^xsd:int .
csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5821911 ;
dbo:casNumber "153719-23-4" ;
dbo:formula "C8H10ClN5O3S" ;
dbo:inchi "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" ;
dbo:iupacName "['(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide', 'N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide']"@en ;
dbo:pubchem "5821911"^^xsd:int ;
dbo:smiles "CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl" ;
dbp:inchikey "InChIKey=NWWZPOKUUAIXIW-DHZHZOJOSA-N" ;
skos:broader csc:CHEMONTID_0002635 ;
skos:exactMatch wise:CAS_153719-23-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiamtxm" ;
skos:prefLabel "thiamethoxam"@nl ;
vcs:vmmParameterId "1439"^^xsd:int .
csc:GVGLGOZIDCSQPN-PVHGPHFFSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5462328 ;
dbo:casNumber "2078-90-2" , "561-27-3" ;
dbo:formula "C21H23NO5" ;
dbo:inchi "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1" ;
dbo:iupacName "[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate"@en ;
dbo:pubchem "5462328"^^xsd:int ;
dbo:smiles "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C" ;
dbp:inchikey "InChIKey=GVGLGOZIDCSQPN-PVHGPHFFSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dactmfne" ;
skos:prefLabel "diacetylmorfine"@nl .
csc:ABOVRDBEJDIBMZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67788 ;
dbo:casNumber "370-50-3" ;
dbo:formula "C15H8Cl2F6N2O" ;
dbo:inchi "InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)" ;
dbo:iupacName "1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea"@en ;
dbo:pubchem "67788"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=ABOVRDBEJDIBMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucfrn" ;
skos:prefLabel "flucofuron"@nl .
csc:MRUDNSFOFOQZDA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5758 ;
dbo:casNumber "50-30-6" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzoic acid"@en ;
dbo:pubchem "5758"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)O)Cl" ;
dbp:inchikey "InChIKey=MRUDNSFOFOQZDA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClbenzzr" ;
skos:prefLabel "2,6-dichloorbenzoezuur"@nl .
csc:UURAUHCOJAIIRQ-QGLSALSOSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:656958 ;
dbo:casNumber "55297-95-5" ;
dbo:formula "C28H47NO4S" ;
dbo:inchi "InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1" ;
dbo:iupacName "[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate"@en ;
dbo:pubchem "656958"^^xsd:int ;
dbo:smiles "CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C" ;
dbp:inchikey "InChIKey=UURAUHCOJAIIRQ-QGLSALSOSA-N" ;
skos:altLabel "thiamuline"@nl ;
skos:broader csc:CHEMONTID_0002003 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tiamlne" ;
skos:prefLabel "tiamuline"@nl .
csc:CRCBRZBVCDKPGA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40469 ;
dbo:casNumber "52663-61-3" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(16)12(9)17/h1-5H" ;
dbo:iupacName "1,2,5-trichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40469"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CRCBRZBVCDKPGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB92" ;
skos:prefLabel "2,2',3,5,5'-pentachloorbifenyl"@nl .
csc:MDNWOSOZYLHTCG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3037 ;
dbo:casNumber "1322-43-6" , "8017-86-5" , "97-23-4" ;
dbo:formula "C13H10Cl2O2" ;
dbo:inchi "InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2" ;
dbo:iupacName "4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "3037"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O" ;
dbp:inchikey "InChIKey=MDNWOSOZYLHTCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClfn" ;
skos:prefLabel "dichloorfeen"@nl .
csc:QUMDOMSJJIFTCA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66222 ;
dbo:casNumber "78-74-0" ;
dbo:formula "C2H3Br3" ;
dbo:inchi "InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2" ;
dbo:iupacName "1,1,2-Tribromoethane"@en ;
dbo:pubchem "66222"^^xsd:int ;
dbo:smiles "C(C(Br)Br)Br" ;
dbp:inchikey "InChIKey=QUMDOMSJJIFTCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TBrC2a" ;
skos:prefLabel "1,1,2-tribroomethaan"@nl .
csc:CHEMONTID_0000132
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000132 ;
skos:definition "Compounds containing the enol functional group, with the structure HO(R)C=CR'. Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IMROMDMJAWUWLK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000132" ;
skos:prefLabel "Enols"@en .
csc:CHEMONTID_0004107
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004107 ;
skos:definition "Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N , csc:QHMTXANCGGJZRX-WUXMJOGZSA-N , csc:IQGKIPDJXCAMSM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004107" ;
skos:prefLabel "1,2,4-triazines"@en .
csc:MYWUZJCMWCOHBA-VIFPVBQESA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10836 ;
dbo:casNumber "45952-89-4" , "1690-86-4" , "14611-50-8" , "537-46-2" , "139-47-9" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1" ;
dbo:iupacName "(2S)-N-methyl-1-phenylpropan-2-amine"@en ;
dbo:pubchem "10836"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC" ;
dbp:inchikey "InChIKey=MYWUZJCMWCOHBA-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "methafAe" ;
skos:prefLabel "methamfetamine"@nl .
csc:KJPRLNWUNMBNBZ-QPJJXVBHSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637511 ;
dbo:casNumber "14371-10-9" , "104-55-2" ;
dbo:formula "C9H8O" ;
dbo:inchi "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+" ;
dbo:iupacName "['(E)-3-phenylprop-2-enal', '3-phenylprop-2-enal']"@en ;
dbo:pubchem "637511"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=CC=O" ;
dbp:inchikey "InChIKey=KJPRLNWUNMBNBZ-QPJJXVBHSA-N" ;
skos:broader csc:CHEMONTID_0000029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cinnAh" ;
skos:prefLabel "cinnamaldehyde"@nl .
csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:95827 ;
dbo:casNumber "6339-19-1" ;
dbo:formula "C4H4ClN3O" ;
dbo:inchi "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" ;
dbo:iupacName "5-amino-4-chloro-2H-pyridazin-3-one"@en ;
dbo:pubchem "95827"^^xsd:int ;
dbo:smiles "C1=NNC(=O)C(=C1N)Cl" ;
dbp:inchikey "InChIKey=FEWPCPCEGBPTAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001924 ;
skos:exactMatch wise:CAS_6339-19-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desFyClidzn" ;
skos:prefLabel "desfenylchloridazon"@nl ;
vcs:vmmParameterId "1534"^^xsd:int .
csc:HPFDGTFXAVIVTH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30111 ;
dbo:casNumber "109201-64-1" , "20324-33-8" , "1335-22-4" ;
dbo:formula "C10H22O4" ;
dbo:inchi "InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3" ;
dbo:iupacName "1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol"@en ;
dbo:pubchem "30111"^^xsd:int ;
dbo:smiles "CC(COC(C)COC(C)COC)O" ;
dbp:inchikey "InChIKey=HPFDGTFXAVIVTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yegcC1yEt" ;
skos:prefLabel "tripropyleenglycolmonomethylether"@nl .
csc:CHEMONTID_0001274
skos:narrower csc:YPNZJHFXFVLXSE-UHFFFAOYSA-N , csc:RHPUJHQBPORFGV-UHFFFAOYSA-N , csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N , csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N , csc:OGRAOKJKVGDSFR-UHFFFAOYSA-N , csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N .
csc:IZEZAMILKKYOPW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:75893 ;
dbo:casNumber "2683-43-4" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2" ;
dbo:iupacName "2,4-Dichloro-6-nitroaniline"@en ;
dbo:pubchem "75893"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl" ;
dbp:inchikey "InChIKey=IZEZAMILKKYOPW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DCl6NO2An" ;
skos:prefLabel "2,4-dichloor-6-nitroaniline"@nl .
csc:CHEMONTID_0000047
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000047 ;
skos:definition "Tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VJJPUSNTGOMMGY-MRVIYFEKSA-N ;
skos:notation "CHEMONTID:0000047" ;
skos:prefLabel "Podophyllotoxins"@en .
csc:NVHBFHMWJJMQTG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20655 ;
dbo:casNumber "4536-87-2" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3" ;
dbo:iupacName "undecan-3-ylbenzene"@en ;
dbo:pubchem "20655"^^xsd:int ;
dbo:smiles "CCCCCCCCC(CC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NVHBFHMWJJMQTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yC9yBen" ;
skos:prefLabel "(1-ethylnonyl)-benzeen"@nl .
csc:IEDKVDCIEARIIU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69423 ;
dbo:casNumber "629-66-3" ;
dbo:formula "C19H38O" ;
dbo:inchi "InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3" ;
dbo:iupacName "Nonadecan-2-one"@en ;
dbo:pubchem "69423"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)C" ;
dbp:inchikey "InChIKey=IEDKVDCIEARIIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C19on" ;
skos:prefLabel "2-nonadecanon"@nl .
csc:CHEMONTID_0001189
skos:narrower csc:QYIYFLOTGYLRGG-GPCCPHFNSA-N .
csc:CHEMONTID_0000190
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000190 ;
skos:definition "Compounds containing a methoxy group attached to the benzene ring of a phenol moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MRBKEAMVRSLQPH-UHFFFAOYSA-N , csc:SERZNTMEVJWJSA-UHFFFAOYSA-N , csc:MWOOGOJBHIARFG-UHFFFAOYSA-N , csc:RRAFCDWBNXTKKO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000190" ;
skos:prefLabel "Methoxyphenols"@en .
csc:PZTAFRMXSAAHMQ-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36637 ;
dbo:casNumber "33954-26-6" , "28179-44-4" ;
dbo:formula "C12H10I3N2NaO5" ;
dbo:inchi "InChI=1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1" ;
dbo:iupacName "sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate"@en ;
dbo:pubchem "36637"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NCCO)I.[Na+]" ;
dbp:inchikey "InChIKey=PZTAFRMXSAAHMQ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "joxtlmnzr" ;
skos:prefLabel "joxitalaminezuur"@nl .
csc:ATJFFYVFTNAWJD-VENIDDJXSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335514 ;
dbo:casNumber "13966-06-8" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn/i1-6" ;
dbo:iupacName "tin-113"@en ;
dbo:pubchem "6335514"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "InChIKey=ATJFFYVFTNAWJD-VENIDDJXSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn113" ;
skos:prefLabel "tin 113"@nl .
csc:CHEMONTID_0004791
skos:narrower csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N .
csc:SZHOJFHSIKHZHA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12530 ;
dbo:casNumber "638-53-9" , "68002-90-4" ;
dbo:formula "C13H26O2" ;
dbo:inchi "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)" ;
dbo:iupacName "Tridecanoic acid"@en ;
dbo:pubchem "12530"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=SZHOJFHSIKHZHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13azr" ;
skos:prefLabel "tridecaanzuur"@nl .
csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1061 ;
dbo:casNumber "264888-19-9" , "14265-44-2" , "68891-72-5" ;
dbo:formula "O4P-3" ;
dbo:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" ;
dbo:iupacName "phosphate"@en ;
dbo:pubchem "1061"^^xsd:int ;
dbo:smiles "[O-]P(=O)([O-])[O-]" ;
dbp:inchikey "InChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-K" ;
dct:isReferencedBy co:WAC_III_C_010 ;
skos:altLabel "fosfaat"@nl ;
skos:exactMatch wise:CAS_14265-44-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PO4" ;
skos:prefLabel "orthofosfaat"@nl ;
vcs:vmmParameterId "12"^^xsd:int , "852"^^xsd:int , "11"^^xsd:int .
csc:CHEMONTID_0004712
skos:narrower csc:WYEMLYFITZORAB-UHFFFAOYSA-N , csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N .
csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12232 ;
dbo:casNumber "624-92-0" , "68920-64-9" ;
dbo:formula "C2H6S2" ;
dbo:inchi "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" ;
dbo:iupacName "Methyldisulfanylmethane"@en ;
dbo:pubchem "12232"^^xsd:int ;
dbo:smiles "CSSC" ;
dbp:inchikey "InChIKey=WQOXQRCZOLPYPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDS" ;
skos:prefLabel "dimethyldisulfide"@nl .
csc:CHEMONTID_0001253
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001253 ;
skos:definition "Compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FBOFHVFMPNNIKN-UHFFFAOYSA-N , csc:MUDSDYNRBDKLGK-UHFFFAOYSA-N , csc:ZTNANFDSJRRZRJ-UHFFFAOYSA-N , csc:SMUQFGGVLNAIOZ-UHFFFAOYSA-N , csc:QXKPLNCZSFACPU-UHFFFAOYSA-N , csc:JJPSZKIOGBRMHK-UHFFFAOYSA-N , csc:SMWDFEZZVXVKRB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001253" ;
skos:prefLabel "Quinolines and derivatives"@en .
csc:DKYWVDODHFEZIM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3825 ;
dbo:casNumber "22161-86-0" , "172964-50-0" , "22071-15-4" ;
dbo:formula "C16H14O3" ;
dbo:inchi "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)" ;
dbo:iupacName "2-[3-(benzoyl)phenyl]propanoic acid"@en ;
dbo:pubchem "3825"^^xsd:int ;
dbo:smiles "CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "InChIKey=DKYWVDODHFEZIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ketpfn" ;
skos:prefLabel "ketoprofen"@nl .
csc:GBKZRUCVLTWAML-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12466 ;
dbo:casNumber "634-83-3" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2" ;
dbo:iupacName "2,3,4,5-TETRACHLOROANILINE"@en ;
dbo:pubchem "12466"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N" ;
dbp:inchikey "InChIKey=GBKZRUCVLTWAML-UHFFFAOYSA-N" ;
skos:altLabel "2,3,4,5-tetrachlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345T4ClAn" ;
skos:prefLabel "2,3,4,5 tetrachlooraniline"@nl .
csc:XXYMSQQCBUKFHE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13271 ;
dbo:casNumber "836-30-6" ;
dbo:formula "C12H10N2O2" ;
dbo:inchi "InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H" ;
dbo:iupacName "4-Nitro-N-phenylaniline"@en ;
dbo:pubchem "13271"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XXYMSQQCBUKFHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DFyAe" ;
skos:prefLabel "4-nitrodifenylamine"@nl .
csc:KHCZSJXTDDHLGJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10693 ;
dbo:casNumber "527-20-8" ;
dbo:formula "C6H2Cl5N" ;
dbo:inchi "InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2" ;
dbo:iupacName "2,3,4,5,6-Pentachloroaniline"@en ;
dbo:pubchem "10693"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N" ;
dbp:inchikey "InChIKey=KHCZSJXTDDHLGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClAn" ;
skos:prefLabel "pentachlooraniline"@nl .
csc:CHEMONTID_0004144
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004144 ;
skos:definition "Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N , csc:JLYFCTQDENRSOL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004144" ;
skos:prefLabel "Heteroaromatic compounds"@en .
csc:CHEMONTID_0001168
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001168 ;
skos:definition "Organic compounds comprising the ketene acetal functional group, with the general structure XC(Y)=C(R3)R4 (R1,R2=H, alkyl, aryl; X,Y=any hetero atom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N , csc:LGXVIGDEPROXKC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001168" ;
skos:prefLabel "Ketene acetals"@en .
csc:HIILBTHBHCLUER-IWQZZHSRSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5370144 ;
dbo:casNumber "13116-57-9" , "96-19-5" ;
dbo:formula "C3H3Cl3" ;
dbo:inchi "InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-" ;
dbo:iupacName "['(Z)-1,2,3-trichloroprop-1-ene', '1,2,3-trichloroprop-1-ene']"@en ;
dbo:pubchem "5370144"^^xsd:int ;
dbo:smiles "C(C(=CCl)Cl)Cl" ;
dbp:inchikey "InChIKey=HIILBTHBHCLUER-IWQZZHSRSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClC3e" ;
skos:prefLabel "1,2,3-trichloorpropeen"@nl .
csc:JDZUWXRNKHXZFE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91721 ;
dbo:casNumber "74472-52-9" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "91721"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JDZUWXRNKHXZFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB204" ;
skos:prefLabel "2,2',3,4,4',5,6,6'-octachloorbifenyl"@nl .
csc:CHEMONTID_0004770
skos:narrower csc:MEBQXILRKZHVCX-UHFFFAOYSA-N .
csc:VGTPCRGMBIAPIM-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10905 ;
dbo:casNumber "13249-87-1" , "104345-12-2" , "540-72-7" ;
dbo:formula "CNNaS" ;
dbo:inchi "InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1" ;
dbo:iupacName "['SODIUM THIOCYANATE', 'Sodium isothiocyanate']"@en ;
dbo:pubchem "10905"^^xsd:int ;
dbo:smiles "C(#N)[S-].[Na+]" ;
dbp:inchikey "InChIKey=VGTPCRGMBIAPIM-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NatoCN" ;
skos:prefLabel "natriumthiocyanaat"@nl .
csc:IAYPIBMASNFSPL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'ethyleenoxide'"@nl ;
rdfs:seeAlso compound:6354 ;
dbo:casNumber "184288-32-2" , "99932-75-9" , "19034-08-3" , "9072-62-2" , "75-21-8" , "37341-05-2" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" ;
dbo:iupacName "['Oxirane', '1-oxacycloprop-2-yne']"@en ;
dbo:pubchem "6354"^^xsd:int ;
dbo:smiles "C1CO1" ;
dbp:inchikey "InChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenoxide "@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:exactMatch wise:CAS_75-21-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeO" ;
skos:prefLabel "ethyleenoxide"@nl ;
vcs:vmmParameterId "848"^^xsd:int .
csc:NMWSKOLWZZWHPL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16322 ;
dbo:casNumber "2051-61-8" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H" ;
dbo:iupacName "1-chloro-3-phenylbenzene"@en ;
dbo:pubchem "16322"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC(=CC=C2)Cl" ;
dbp:inchikey "InChIKey=NMWSKOLWZZWHPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB2" ;
skos:prefLabel "3-chloorbifenyl"@nl .
csc:KVWWIYGFBYDJQC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:102861 ;
dbo:casNumber "80450-69-7" , "24851-98-7" , "29852-02-6" , "2630-39-9" ;
dbo:formula "C13H22O3" ;
dbo:inchi "InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "methyl 2-(3-oxo-2-pentylcyclopentyl)acetate"@en ;
dbo:pubchem "102861"^^xsd:int ;
dbo:smiles "CCCCCC1C(CCC1=O)CC(=O)OC" ;
dbp:inchikey "InChIKey=KVWWIYGFBYDJQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000512 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDHjasmnt" ;
skos:prefLabel "methyldihydrojasmonaat"@nl .
csc:RCRHKXGEYNVPDK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17426 ;
dbo:casNumber "2588-05-8" ;
dbo:formula "C7H17O4PS2" ;
dbo:inchi "InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "1-(ethoxy-(ethylsulfinylmethylsulfanyl)phosphoryl)oxyethane"@en ;
dbo:pubchem "17426"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCS(=O)CC" ;
dbp:inchikey "InChIKey=RCRHKXGEYNVPDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000491 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forOonSO" ;
skos:prefLabel "foraat-oxon-sulfoxide"@nl .
csc:RAPZEAPATHNIPO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5073 ;
dbo:casNumber "106266-06-2" ;
dbo:formula "C23H27FN4O2" ;
dbo:inchi "InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3" ;
dbo:iupacName "3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one"@en ;
dbo:pubchem "5073"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F" ;
dbp:inchikey "InChIKey=RAPZEAPATHNIPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001859 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "risprdne" ;
skos:prefLabel "risperidone"@nl .
csc:IBXPYPUJPLLOIN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3090 ;
dbo:casNumber "551-92-8" ;
dbo:formula "C5H7N3O2" ;
dbo:inchi "InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3" ;
dbo:iupacName "1,2-Dimethyl-5-nitroimidazole"@en ;
dbo:pubchem "3090"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=IBXPYPUJPLLOIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmTdzl" ;
skos:prefLabel "dimetridazol"@nl .
csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23448 ;
dbo:casNumber "7012-37-5" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H" ;
dbo:iupacName "2,4-dichloro-1-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "23448"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BZTYNSQSZHARAZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb-28"@nl , "pcb 28"@nl , "2,4,4'-trichloorbifenyl"@nl , "2,4,4'-trichloorbifenyl (pcb28)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_7012-37-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB28" ;
skos:prefLabel "PCB-28"@nl ;
vcs:vmmParameterId "444"^^xsd:int , "1417"^^xsd:int .
csc:CHEMONTID_0001715
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001715 ;
skos:definition "Derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GMMKZUPOLVXWFF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001715" ;
skos:prefLabel "Hydroquinolines"@en .
csc:UCZDDMGNCJJAHK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115266 ;
dbo:casNumber "5278-95-5" ;
dbo:formula "C2HBr2ClO2" ;
dbo:inchi "InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2-dibromo-2-chloroacetic acid"@en ;
dbo:pubchem "115266"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Br)Br)O" ;
dbp:inchikey "InChIKey=UCZDDMGNCJJAHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrClHAc" ;
skos:prefLabel "dibroomchloorazijnzuur"@nl .
csc:NSMUHPMZFPKNMZ-FCFLHPMBSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11953851 ;
dbo:casNumber "519-62-0" ;
dbo:formula "C55H70MgN4O6" ;
dbo:inchi "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32?,33?,36-,40-,51?;/m0./s1" ;
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en ;
dbo:pubchem "11953851"^^xsd:int ;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2]" ;
dbp:inchikey "InChIKey=NSMUHPMZFPKNMZ-FCFLHPMBSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHLFb" ;
skos:prefLabel "chlorofyl-b"@nl .
csc:HJOVHMDZYOCNQW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6544 ;
dbo:casNumber "78-59-1" ;
dbo:formula "C9H14O" ;
dbo:inchi "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" ;
dbo:iupacName "3,5,5-trimethylcyclohex-2-en-1-one"@en ;
dbo:pubchem "6544"^^xsd:int ;
dbo:smiles "CC1=CC(=O)CC(C1)(C)C" ;
dbp:inchikey "InChIKey=HJOVHMDZYOCNQW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrn" ;
skos:prefLabel "isoforon"@nl .
csc:YJMNOKOLADGBKA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6846 ;
dbo:casNumber "25551-35-3" , "86-53-3" ;
dbo:formula "C11H7N" ;
dbo:inchi "InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H" ;
dbo:iupacName "Naphthalene-1-carbonitrile"@en ;
dbo:pubchem "6846"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2C#N" ;
dbp:inchikey "InChIKey=YJMNOKOLADGBKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf1cbntl" ;
skos:prefLabel "naftaleen-1-carbonitril"@nl .
csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2879 ;
dbo:casNumber "106-44-5" , "72269-62-6" , "1319-77-3" , "2876-02-0" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" ;
dbo:iupacName "4-Methylphenol"@en ;
dbo:pubchem "2879"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N" ;
skos:altLabel "p-cresol"@nl , "4-methylfenol (p-cresol)"@nl ;
skos:broader csc:CHEMONTID_0001275 ;
skos:exactMatch wise:CAS_106-44-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pcresl" , "scresl" ;
skos:prefLabel "4-methylfenol"@nl ;
vcs:vmmParameterId "695"^^xsd:int .
csc:PESKGJQREUXSRR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:85881 ;
dbo:casNumber "15600-08-5" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "85881"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C" ;
dbp:inchikey "InChIKey=PESKGJQREUXSRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5acholet3on" ;
skos:prefLabel "5-alfa-cholestan-3-one"@nl .
csc:YSXKPIUOCJLQIE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2381 ;
dbo:casNumber "514-65-8" ;
dbo:formula "C21H29NO" ;
dbo:inchi "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2" ;
dbo:iupacName "1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol"@en ;
dbo:pubchem "2381"^^xsd:int ;
dbo:smiles "C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O" ;
dbp:inchikey "InChIKey=YSXKPIUOCJLQIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biprdn" ;
skos:prefLabel "biperiden"@nl .
csc:MCAHWIHFGHIESP-UHFFFAOYSA-L
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1090 ;
dbo:casNumber "14124-67-5" ;
dbo:formula "O3Se-2" ;
dbo:inchi "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2" ;
dbo:iupacName "selenite"@en ;
dbo:pubchem "1090"^^xsd:int ;
dbo:smiles "[O-][Se](=O)[O-]" ;
dbp:inchikey "InChIKey=MCAHWIHFGHIESP-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SeO3" ;
skos:prefLabel "seleniet"@nl .
csc:OGPBJKLSAFTDLK-IGMARMGPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104907 ;
dbo:casNumber "14683-23-9" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+0" ;
dbo:iupacName "europium-152"@en ;
dbo:pubchem "104907"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu152" ;
skos:prefLabel "europium 152"@nl .
csc:OWDLFBLNMPCXSD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:42850 ;
dbo:casNumber "58810-48-3" , "75789-32-1" ;
dbo:formula "C14H16ClNO3" ;
dbo:inchi "InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3" ;
dbo:iupacName "2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide"@en ;
dbo:pubchem "42850"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl" ;
dbp:inchikey "InChIKey=OWDLFBLNMPCXSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ofrce" ;
skos:prefLabel "ofurace"@nl .
csc:CDMGNVWZXRKJNS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24216 ;
dbo:casNumber "534-83-8" , "28994-41-4" , "1322-51-6" ;
dbo:formula "C13H12O" ;
dbo:inchi "InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2" ;
dbo:iupacName "2-(phenylmethyl)phenol"@en ;
dbo:pubchem "24216"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=C2O" ;
dbp:inchikey "InChIKey=CDMGNVWZXRKJNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-benzylfenol"@nl .
csc:JCDWETOKTFWTHA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18369 ;
dbo:casNumber "3112-85-4" ;
dbo:formula "C7H8O2S" ;
dbo:inchi "InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "methylsulfonylbenzene"@en ;
dbo:pubchem "18369"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=JCDWETOKTFWTHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yFysfn" ;
skos:prefLabel "methylfenylsulfon"@nl .
csc:JLYFCTQDENRSOL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91744 ;
dbo:casNumber "87674-68-8" ;
dbo:formula "C12H18ClNO2S" ;
dbo:inchi "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3" ;
dbo:iupacName "2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide"@en ;
dbo:pubchem "91744"^^xsd:int ;
dbo:smiles "CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C" ;
dbp:inchikey "InChIKey=JLYFCTQDENRSOL-UHFFFAOYSA-N" ;
skos:altLabel "dimethenamid"@nl ;
skos:broader csc:CHEMONTID_0004144 ;
skos:exactMatch wise:CAS_87674-68-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmtAd" ;
skos:prefLabel "dimethenamide"@nl ;
vcs:vmmParameterId "1231"^^xsd:int .
csc:CHEMONTID_0003522
skos:narrower csc:YOVRGSHRZRJTLZ-HZPDHXFCSA-N , csc:CYQFCXCEBYINGO-IAGOWNOFSA-N .
csc:CHEMONTID_0000546
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000546 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ODINCKMPIJJUCX-UHFFFAOYSA-N , csc:CPLXHLVBOLITMK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000546" ;
skos:prefLabel "Alkaline earth metal oxides"@en .
csc:CHEMONTID_0001290
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001290 ;
skos:definition "Compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001290" ;
skos:prefLabel "Indolyl carboxylic acids and derivatives"@en .
csc:UQXKXGWGFRWILX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40818 ;
dbo:casNumber "121749-11-9" , "628-96-6" ;
dbo:formula "C2H4N2O6" ;
dbo:inchi "InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2" ;
dbo:iupacName "2-nitrooxyethyl nitrate"@en ;
dbo:pubchem "40818"^^xsd:int ;
dbo:smiles "C(CO[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UQXKXGWGFRWILX-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenglycoldinitraat (EGDN)"@nl ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yegcDNO3" ;
skos:prefLabel "ethyleenglycoldinitraat (egdn)"@nl .
csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7958 ;
dbo:casNumber "68514-40-9" , "108-83-8" ;
dbo:formula "C9H18O" ;
dbo:inchi "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,6-Dimethylheptan-4-one"@en ;
dbo:pubchem "7958"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)CC(C)C" ;
dbp:inchikey "InChIKey=PTTPXKJBFFKCEK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 ;
skos:altLabel "2,6-dimethyl-4-heptanon"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1y4C7on" ;
skos:prefLabel "2,6-dimethylheptaan-4-on"@nl .
csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2078 ;
dbo:casNumber "15972-60-8" ;
dbo:formula "C14H20ClNO2" ;
dbo:inchi "InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" ;
dbo:iupacName "2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide"@en ;
dbo:pubchem "2078"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl" ;
dbp:inchikey "InChIKey=XCSGPAVHZFQHGE-UHFFFAOYSA-N" ;
skos:altLabel "alachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_15972-60-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alCl" ;
skos:prefLabel "alachloor"@nl ;
vcs:vmmParameterId "751"^^xsd:int .
csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:11525 ;
dbo:casNumber "1331-22-2" , "589-92-4" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" ;
dbo:iupacName "4-methylcyclohexan-1-one"@en ;
dbo:pubchem "11525"^^xsd:int ;
dbo:smiles "CC1CCC(=O)CC1" ;
dbp:inchikey "InChIKey=VGVHNLRUAMRIEW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_007 ;
skos:altLabel "methylcyclohexanon "@nl , "methylcyclohexanon"@nl ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cy1cycC6on" ;
skos:prefLabel "4-methylcyclohexanon"@nl .
csc:YHJDZIQOCSDIQU-OEDJVVDHSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62979 ;
dbo:casNumber "15686-71-2" , "105879-42-3" ;
dbo:formula "C16H20ClN3O5S" ;
dbo:inchi "InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride"@en ;
dbo:pubchem "62979"^^xsd:int ;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.Cl" ;
dbp:inchikey "InChIKey=YHJDZIQOCSDIQU-OEDJVVDHSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceflxne" ;
skos:prefLabel "cefalexine"@nl .
csc:MXBVNILGVJVVMH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9209 ;
dbo:casNumber "253-69-0" ;
dbo:formula "C8H6N2" ;
dbo:inchi "InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H" ;
dbo:iupacName "1,7-NAPHTHYRIDINE"@en ;
dbo:pubchem "9209"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=NC=C2)N=C1" ;
dbp:inchikey "InChIKey=MXBVNILGVJVVMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001857 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17naftrdne" ;
skos:prefLabel "1,7-naftyridine"@nl .
csc:ODZTXUXIYGJLMC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10785 ;
dbo:casNumber "114818-70-1" , "30282-14-5" , "533-60-8" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2" ;
dbo:iupacName "2-Hydroxycyclohexan-1-one"@en ;
dbo:pubchem "10785"^^xsd:int ;
dbo:smiles "C1CCC(=O)C(C1)O" ;
dbp:inchikey "InChIKey=ODZTXUXIYGJLMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxccC6on" ;
skos:prefLabel "2-hydroxy-cyclohexanon"@nl .
csc:FZLIPJUXYLNCLC-OUBTZVSYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104882 ;
dbo:casNumber "13981-28-7" ;
dbo:formula "La" ;
dbo:inchi "InChI=1S/La/i1+1" ;
dbo:iupacName "lanthanum-140"@en ;
dbo:pubchem "104882"^^xsd:int ;
dbo:smiles "[La]" ;
dbp:inchikey "InChIKey=FZLIPJUXYLNCLC-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "La140" ;
skos:prefLabel "lanthaan 140"@nl .
csc:AWYOMXWDGWUJHS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93516 ;
dbo:casNumber "96182-53-5" ;
dbo:formula "C13H23N2O3PS" ;
dbo:inchi "InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3" ;
dbo:iupacName "(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "93516"^^xsd:int ;
dbo:smiles "CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C" ;
dbp:inchikey "InChIKey=AWYOMXWDGWUJHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebprfs" ;
skos:prefLabel "tebupirimfos"@nl .
csc:ZYURHZPYMFLWSH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12408 ;
dbo:casNumber "630-02-4" ;
dbo:formula "C28H58" ;
dbo:inchi "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" ;
dbo:iupacName "Octacosane"@en ;
dbo:pubchem "12408"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=ZYURHZPYMFLWSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C28a" ;
skos:prefLabel "octacosaan"@nl .
csc:KVBGVZZKJNLNJU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8420 ;
dbo:casNumber "120-18-3" , "54257-18-0" ;
dbo:formula "C10H8O3S" ;
dbo:inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)" ;
dbo:iupacName "naphthalene-2-sulfonic acid"@en ;
dbo:pubchem "8420"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=KVBGVZZKJNLNJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Nafsfzr" ;
skos:prefLabel "2-naftaleensulfonzuur"@nl .
csc:CHEMONTID_0000525
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000525 ;
skos:definition "Inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest metal atom is an alkali metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PXIPVTKHYLBLMZ-UHFFFAOYSA-N , csc:MNWBNISUBARLIT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000525" ;
skos:prefLabel "Alkali metal nitrides"@en .
csc:YMRMDGSNYHCUCL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9631 ;
dbo:casNumber "354-23-4" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" ;
dbo:iupacName "1,2-Dichloro-1,1,2-trifluoroethane"@en ;
dbo:pubchem "9631"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=YMRMDGSNYHCUCL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123a" ;
skos:prefLabel "1,2-dichloor-1,1,2-trifluorethaan"@nl .
csc:RGNPBRKPHBKNKX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91741 ;
dbo:casNumber "86479-06-3" ;
dbo:formula "C16H8Cl2F6N2O3" ;
dbo:inchi "InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)" ;
dbo:iupacName "N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91741"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F" ;
dbp:inchikey "InChIKey=RGNPBRKPHBKNKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxfmrn" ;
skos:prefLabel "hexaflumuron"@nl .
csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II diverse art."@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR bijl. 2.5.3. 'NO2'"@nl ;
rdfs:seeAlso compound:3032552 ;
dbo:casNumber "127999-62-6" , "78246-05-6" , "56003-83-9" , "119990-11-3" , "50443-93-1" , "66252-28-6" , "10102-44-0" ;
dbo:formula "NO2" ;
dbo:inchi "InChI=1S/NO2/c2-1-3" ;
dbo:iupacName "Nitrogen dioxide"@en ;
dbo:pubchem "3032552"^^xsd:int ;
dbo:smiles "N(=O)[O]" ;
dbp:inchikey "InChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofdioxide (no2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofdioxide (NO2)"@nl .
csc:XOJVVFBFDXDTEG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15979 ;
dbo:casNumber "1921-70-6" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3" ;
dbo:iupacName "2,6,10,14-Tetramethylpentadecane"@en ;
dbo:pubchem "15979"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=XOJVVFBFDXDTEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "261014T4C1yC" ;
skos:prefLabel "2,6,10,14-tetramethylpentadecaan"@nl .
csc:XOUQAVYLRNOXDO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6937 ;
dbo:casNumber "88-60-8" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3" ;
dbo:iupacName "2-tert-Butyl-5-methylphenol"@en ;
dbo:pubchem "6937"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(C)(C)C)O" ;
dbp:inchikey "InChIKey=XOUQAVYLRNOXDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "211DC1yC2y5C" ;
skos:prefLabel "2-(1,1-dimethylethyl)-5-methylfenol"@nl .
csc:WATWJIUSRGPENY-IGMARMGPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335836 ;
dbo:casNumber "14374-79-9" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+0" ;
dbo:iupacName "antimony-122"@en ;
dbo:pubchem "6335836"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb122" ;
skos:prefLabel "antimoon 122"@nl .
csc:CHEMONTID_0003416
skos:narrower csc:RJUFJBKOKNCXHH-UHFFFAOYSA-N , csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N , csc:BHIWKHZACMWKOJ-UHFFFAOYSA-N .
csc:BWZVCCNYKMEVEX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7953 ;
dbo:casNumber "108-75-8" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" ;
dbo:iupacName "2,4,6-Trimethylpyridine"@en ;
dbo:pubchem "7953"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=C1)C)C" ;
dbp:inchikey "InChIKey=BWZVCCNYKMEVEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yprdne" ;
skos:prefLabel "2,4,6-trimethylpyridine"@nl .
csc:HRBKVYFZANMGRE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21803 ;
dbo:casNumber "5598-13-0" ;
dbo:formula "C7H7Cl3NO3PS" ;
dbo:inchi "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3" ;
dbo:iupacName "dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane"@en ;
dbo:pubchem "21803"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HRBKVYFZANMGRE-UHFFFAOYSA-N" ;
skos:altLabel "methylchloorpyrifos"@nl , "chloorpyrifos-methyl"@nl ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_5598-13-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yClprfs" ;
skos:prefLabel "chlorpyrifos-methyl"@nl ;
vcs:vmmParameterId "687"^^xsd:int .
csc:CHEMONTID_0004160
skos:narrower csc:XPDWGBQVDMORPB-UHFFFAOYSA-N , csc:VOPWNXZWBYDODV-UHFFFAOYSA-N , csc:UMNKXPULIDJLSU-UHFFFAOYSA-N , csc:RYFZYYUIAZYQLC-UHFFFAOYSA-N , csc:LFHISGNCFUNFFM-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:GATVIKZLVQHOMN-UHFFFAOYSA-N , csc:FMWLUWPQPKEARP-UHFFFAOYSA-N , csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N .
csc:CHEMONTID_0001184
skos:narrower csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N , csc:DENRZWYUOJLTMF-UHFFFAOYSA-N , csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N .
csc:JLGLQAWTXXGVEM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8178 ;
dbo:casNumber "112-35-6" ;
dbo:formula "C7H16O4" ;
dbo:inchi "InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3" ;
dbo:iupacName "2-[2-(2-Methoxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8178"^^xsd:int ;
dbo:smiles "COCCOCCOCCO" ;
dbp:inchikey "InChIKey=JLGLQAWTXXGVEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "222C1oxC2oxC" ;
skos:prefLabel "2-(2-(2-methoxyethoxy)ethoxy)ethanol"@nl .
csc:JUWUWIGZUVEFQB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:107217 ;
dbo:casNumber "4057-31-2" ;
dbo:formula "C12H20O2" ;
dbo:inchi "InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3" ;
dbo:iupacName "(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate"@en ;
dbo:pubchem "107217"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(C2CCC1(C2)C)(C)C" ;
dbp:inchikey "InChIKey=JUWUWIGZUVEFQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "afencactt" ;
skos:prefLabel "alfa-fenchylacetaat"@nl .
csc:OKBJVIVEFXPEOU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38017 ;
dbo:casNumber "38380-05-1" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38017"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OKBJVIVEFXPEOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB132" ;
skos:prefLabel "2,2',3,3',4,6'-hexachloorbifenyl"@nl .
csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6333 ;
dbo:casNumber "74-97-5" , "83847-49-8" , "13590-47-1" ;
dbo:formula "CH2BrCl" ;
dbo:inchi "InChI=1S/CH2BrCl/c2-1-3/h1H2" ;
dbo:iupacName "bromo-chloromethane"@en ;
dbo:pubchem "6333"^^xsd:int ;
dbo:smiles "C(Cl)Br" ;
dbp:inchikey "InChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-97-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1011" ;
skos:prefLabel "broomchloormethaan"@nl ;
vcs:vmmParameterId "541"^^xsd:int .
csc:VXQBJTKSVGFQOL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31288 ;
dbo:casNumber "98100-70-0" , "124-17-4" ;
dbo:formula "C10H20O4" ;
dbo:inchi "InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3" ;
dbo:iupacName "2-(2-Butoxyethoxy)ethyl acetate"@en ;
dbo:pubchem "31288"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOC(=O)C" ;
dbp:inchikey "InChIKey=VXQBJTKSVGFQOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C4oxC2ox02" ;
skos:prefLabel "2-(2-butoxyethoxy)ethylacetaat"@nl .
csc:CHEMONTID_0000583
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000583 ;
skos:definition "Inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a metalloid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000583" ;
skos:prefLabel "Metalloid chlorides"@en .
csc:MTVNAPYHLASOSX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:606997 ;
dbo:casNumber "19814-75-6" ;
dbo:formula "C15H14O" ;
dbo:inchi "InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3" ;
dbo:iupacName "9,9-Dimethylxanthene"@en ;
dbo:pubchem "606997"^^xsd:int ;
dbo:smiles "CC1(C2=CC=CC=C2OC3=CC=CC=C31)C" ;
dbp:inchikey "InChIKey=MTVNAPYHLASOSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000200 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "99DC1yxtn" ;
skos:prefLabel "9,9-dimethylxantheen"@nl .
csc:CHEMONTID_0001099
skos:narrower csc:WDZACGWEPQLKOM-UHFFFAOYSA-N , csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N , csc:HHUQPWODPBDTLI-UHFFFAOYSA-N , csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N , csc:RELMFMZEBKVZJC-UHFFFAOYSA-N , csc:YQEZLKZALYSWHR-UHFFFAOYSA-N , csc:VMNISWKTOHUZQN-UHFFFAOYSA-N , csc:GBDZXPJXOMHESU-UHFFFAOYSA-N , csc:STUSTWKEFDQFFZ-UHFFFAOYSA-N , csc:PPDBOQMNKNNODG-ZROIWOOFSA-N , csc:MNHVNIJQQRJYDH-UHFFFAOYSA-N , csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N , csc:OGYFATSSENRIKG-UHFFFAOYSA-N , csc:LLLFASISUZUJEQ-UHFFFAOYSA-N , csc:HZJKXKUJVSEEFU-UHFFFAOYSA-N , csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N , csc:RUYUCCQRWINUHE-UHFFFAOYSA-N , csc:PBKONEOXTCPAFI-UHFFFAOYSA-N , csc:KIEDNEWSYUYDSN-UHFFFAOYSA-N , csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N , csc:QZYNWJQFTJXIRN-UHFFFAOYSA-N , csc:XGWIJUOSCAQSSV-VPHXOMNUSA-N , csc:UXADOQPNKNTIHB-UHFFFAOYSA-N , csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N , csc:NPDACUSDTOMAMK-UHFFFAOYSA-N , csc:RXDMAYSSBPYBFW-UHFFFAOYSA-N , csc:DHWRNDJOGMTCPB-UHFFFAOYSA-N , csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N , csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N , csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N , csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N , csc:QHTQREMOGMZHJV-UHFFFAOYSA-N .
csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art)"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:996 ;
dbo:casNumber "27073-41-2" , "63496-48-0" , "73607-76-8" , "61788-41-8" , "108-95-2" , "1336-35-2" , "50356-25-7" , "14534-23-7" , "8002-07-1" ;
dbo:formula "C6H6O" ;
dbo:inchi "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" ;
dbo:iupacName "PHENOL"@en ;
dbo:pubchem "996"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_005 ;
skos:broader csc:CHEMONTID_0004647 ;
skos:exactMatch wise:CAS_108-95-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fol" ;
skos:prefLabel "fenol"@nl ;
vcs:vmmParameterId "569"^^xsd:int .
csc:WSPOMRSOLSGNFJ-AUWJEWJLSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:667467 ;
dbo:casNumber "113-59-7" ;
dbo:formula "C18H18ClNS" ;
dbo:inchi "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-" ;
dbo:iupacName "(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "667467"^^xsd:int ;
dbo:smiles "CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=WSPOMRSOLSGNFJ-AUWJEWJLSA-N" ;
skos:broader csc:CHEMONTID_0000199 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clptxne" ;
skos:prefLabel "chloorprothixene"@nl .
csc:ZAGRQXMWMRUYRB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:63079 ;
dbo:casNumber "74472-44-9" , "41411-62-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63079"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZAGRQXMWMRUYRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB160" ;
skos:prefLabel "2,3,3',4,5,6-hexachloorbifenyl"@nl .
csc:QNBTYORWCCMPQP-JXAWBTAJSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5463781 ;
dbo:casNumber "110488-70-5" ;
dbo:formula "C21H22ClNO4" ;
dbo:inchi "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-" ;
dbo:iupacName "(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one"@en ;
dbo:pubchem "5463781"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC" ;
dbp:inchikey "InChIKey=QNBTYORWCCMPQP-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_110488-70-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtmf" ;
skos:prefLabel "dimethomorf"@nl ;
vcs:vmmParameterId "1232"^^xsd:int .
csc:JTPNRXUCIXHOKM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7003 ;
dbo:casNumber "90-13-1" ;
dbo:formula "C10H7Cl" ;
dbo:inchi "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" ;
dbo:iupacName "1-Chloronaphthalene"@en ;
dbo:pubchem "7003"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2Cl" ;
dbp:inchikey "InChIKey=JTPNRXUCIXHOKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:exactMatch wise:CAS_90-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClNaf" ;
skos:prefLabel "1-chloornaftaleen"@nl ;
vcs:vmmParameterId "334"^^xsd:int .
csc:CHEMONTID_0000504
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000504 ;
skos:definition "Derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OYHQOLUKZRVURQ-HZJYTTRNSA-N , csc:VZCCETWTMQHEPK-QNEBEIHSSA-N , csc:DTOSIQBPPRVQHS-IUQGRGSQSA-N , csc:DVWSXZIHSUZZKJ-YSTUJMKBSA-N ;
skos:notation "CHEMONTID:0000504" ;
skos:prefLabel "Lineolic acids and derivatives"@en .
csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:122499 ;
dbo:casNumber "29878-31-7" , "29385-43-1" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" ;
dbo:iupacName "4-methyl-2H-benzotriazole"@en ;
dbo:pubchem "122499"^^xsd:int ;
dbo:smiles "CC1=CC=CC2=NNN=C12" ;
dbp:inchikey "InChIKey=CMGDVUCDZOBDNL-UHFFFAOYSA-N" ;
skos:altLabel "4-methyl-1H-benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y1Hbztazl" , "4C1y1Hbztazl" ;
skos:prefLabel "methyl-1H-benzotriazool"@nl .
csc:CHEMONTID_0000021
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000021 ;
skos:definition "Compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YSAXEHWHSLANOM-UHFFFAOYSA-N , csc:YBYIRNPNPLQARY-UHFFFAOYSA-N , csc:DNWJJJOJBSVOEL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000021" ;
skos:prefLabel "Indenes and isoindenes"@en .
csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24744 ;
dbo:casNumber "13684-63-4" ;
dbo:formula "C16H16N2O4" ;
dbo:inchi "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)" ;
dbo:iupacName "[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate"@en ;
dbo:pubchem "24744"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC" ;
dbp:inchikey "InChIKey=IDOWTHOLJBTAFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmdfm" ;
skos:prefLabel "fenmedifam"@nl .
csc:CHEMONTID_0000419
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000419 ;
skos:definition "Organic compounds containing phosphonic acid or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000419" ;
skos:prefLabel "Organic phosphonic acids and derivatives"@en .
csc:HCJLVWUMMKIQIM-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8568 ;
dbo:casNumber "131-52-2" ;
dbo:formula "C6Cl5NaO" ;
dbo:inchi "InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1" ;
dbo:iupacName "sodium 2,3,4,5,6-pentachlorophenolate"@en ;
dbo:pubchem "8568"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]" ;
dbp:inchikey "InChIKey=HCJLVWUMMKIQIM-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaPeClfnt" ;
skos:prefLabel "natriumpentachloorfenaat"@nl .
csc:CHEMONTID_0004622
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004622 ;
skos:definition "Hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LAAVYEUJEMRIGF-UHFFFAOYSA-N , csc:ATQUFXWBVZUTKO-UHFFFAOYSA-N , csc:SZFRZEBLZFTODC-UHFFFAOYSA-N , csc:FXNDIJDIPNCZQJ-UHFFFAOYSA-N , csc:OJOWICOBYCXEKR-KRXBUXKQSA-N ;
skos:notation "CHEMONTID:0004622" ;
skos:prefLabel "Branched unsaturated hydrocarbons"@en .
csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23986 ;
dbo:casNumber "7440-58-6" , "412316-00-8" ;
dbo:formula "Hf" ;
dbo:inchi "InChI=1S/Hf" ;
dbo:iupacName "HAFNIUM"@en ;
dbo:pubchem "23986"^^xsd:int ;
dbo:smiles "[Hf]" ;
dbp:inchikey "InChIKey=VBJZVLUMGGDVMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hf" ;
skos:prefLabel "hafnium"@nl .
csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16686 ;
dbo:casNumber "2227-17-0" ;
dbo:formula "C10Cl10" ;
dbo:inchi "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18" ;
dbo:iupacName "1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene"@en ;
dbo:pubchem "16686"^^xsd:int ;
dbo:smiles "C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LWLJUMBEZJHXHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DenCl" ;
skos:prefLabel "dienochloor"@nl .
csc:MKIMSXGUTQTKJU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33112 ;
dbo:casNumber "25606-41-1" , "24579-73-5" ;
dbo:formula "C9H21ClN2O2" ;
dbo:inchi "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" ;
dbo:iupacName "dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride"@en ;
dbo:pubchem "33112"^^xsd:int ;
dbo:smiles "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" ;
dbp:inchikey "InChIKey=MKIMSXGUTQTKJU-UHFFFAOYSA-N" ;
skos:altLabel "propamocarb"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propmcbHCl" , "propmcb" ;
skos:prefLabel "propamocarb hydrochloride"@nl .
csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:10686 ;
dbo:casNumber "25551-13-7" , "526-73-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" ;
dbo:iupacName "1,2,3-Trimethylbenzene"@en ;
dbo:pubchem "10686"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)C" ;
dbp:inchikey "InChIKey=FYGHSUNMUKGBRK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TC1yBen" ;
skos:prefLabel "1,2,3-trimethylbenzeen"@nl .
csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II Art. 5.7.14.1"@nl , "VLAREM II bijlage 4.4.2 'zwavelkoolstof'"@nl ;
rdfs:seeAlso compound:6348 ;
dbo:casNumber "355120-85-3" , "75-15-0" , "12539-80-9" ;
dbo:formula "CS2" ;
dbo:inchi "InChI=1S/CS2/c2-1-3" ;
dbo:iupacName "methanedithione"@en ;
dbo:pubchem "6348"^^xsd:int ;
dbo:smiles "C(=S)=S" ;
dbp:inchikey "InChIKey=QGJOPFRUJISHPQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000555 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CS2" ;
skos:prefLabel "koolstofdisulfide"@nl .
csc:GUTLYIVDDKVIGB-YPZZEJLDSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104851 ;
dbo:casNumber "13981-50-5" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-2" ;
dbo:iupacName "cobalt-57"@en ;
dbo:pubchem "104851"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co57" ;
skos:prefLabel "kobalt 57"@nl .
csc:NTJOBXMMWNYJFB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2159 ;
dbo:casNumber "71675-85-9" ;
dbo:formula "C17H27N3O4S" ;
dbo:inchi "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)" ;
dbo:iupacName "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide"@en ;
dbo:pubchem "2159"^^xsd:int ;
dbo:smiles "CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC" ;
dbp:inchikey "InChIKey=NTJOBXMMWNYJFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001917 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amspde" ;
skos:prefLabel "amisulpride"@nl .
csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5787 ;
dbo:casNumber "50-84-0" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)" ;
dbo:iupacName "2,4-Dichlorobenzoic acid"@en ;
dbo:pubchem "5787"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(=O)O" ;
dbp:inchikey "InChIKey=ATCRIUVQKHMXSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClbenzzr" ;
skos:prefLabel "2,4-dichloorbenzoezuur"@nl .
csc:TZIZWYVVGLXXFV-FLRHRWPCSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21826 ;
dbo:casNumber "5611-51-8" ;
dbo:formula "C30H41FO7" ;
dbo:inchi "InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1" ;
dbo:iupacName "[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate"@en ;
dbo:pubchem "21826"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)CC(C)(C)C)C)O)F)C)C" ;
dbp:inchikey "InChIKey=TZIZWYVVGLXXFV-FLRHRWPCSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TacnlnHxactn" ;
skos:prefLabel "triamcinolonehexacetonide"@nl .
csc:LAHWLEDBADHJGA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37807 ;
dbo:casNumber "37680-73-2" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "37807"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LAHWLEDBADHJGA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',4,5,5'-pentachloorbifenyl"@nl , "pcb 101"@nl , "PCB-101"@nl , "2,2',4,5,5'-pentachloorbifenyl (pcb101)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_37680-73-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB101" ;
skos:prefLabel "pcb-101"@nl ;
vcs:vmmParameterId "440"^^xsd:int , "1412"^^xsd:int .
csc:CHEMONTID_0004537
skos:narrower csc:QKICWELGRMTQCR-UHFFFAOYSA-N .
csc:HECLRDQVFMWTQS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6492 ;
dbo:casNumber "107760-16-7" , "45737-84-6" , "151065-56-4" , "1755-01-7" , "77-73-6" , "60328-38-3" , "54335-17-0" , "25038-78-2" ;
dbo:formula "C10H12" ;
dbo:inchi "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" ;
dbo:iupacName "tricyclo[5.2.1.02,6]deca-3,8-diene"@en ;
dbo:pubchem "6492"^^xsd:int ;
dbo:smiles "C1C=CC2C1C3CC2C=C3" ;
dbp:inchikey "InChIKey=HECLRDQVFMWTQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004149 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DccPeDen" ;
skos:prefLabel "dicyclopentadieen"@nl .
csc:PPBRXRYQALVLMV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7501 ;
dbo:casNumber "68987-41-7" , "100-42-5" , "68441-35-0" , "12770-88-6" , "9003-53-6" , "79637-11-9" ;
dbo:formula "C8H8" ;
dbo:inchi "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" ;
dbo:iupacName "Ethenylbenzene"@en ;
dbo:pubchem "7501"^^xsd:int ;
dbo:smiles "C=CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=PPBRXRYQALVLMV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:altLabel "polystyreen"@nl ;
skos:broader csc:CHEMONTID_0000037 ;
skos:exactMatch wise:CAS_100-42-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polstyrn" , "styrn" ;
skos:prefLabel "styreen"@nl ;
vcs:vmmParameterId "222"^^xsd:int .
csc:PFEOZHBOMNWTJB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7282 ;
dbo:casNumber "96-14-0" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" ;
dbo:iupacName "3-Methylpentane"@en ;
dbo:pubchem "7282"^^xsd:int ;
dbo:smiles "CCC(C)CC" ;
dbp:inchikey "InChIKey=PFEOZHBOMNWTJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC5a" ;
skos:prefLabel "3-methylpentaan"@nl .
csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'Vanadium en vanadiumverbindingen, uitgedrukt in vanadium (V)'"@nl , "VLAR II bijl. 4.4.2 'vanadium en zijn verbindingen, uitgedrukt in V'"@nl , "VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'"@nl , "VLAR III (D3, diverse art) 'V'"@nl , "VLAR III (D3) 'vanadium'"@nl ;
rdfs:seeAlso compound:23990 ;
dbo:casNumber "7440-62-2" , "22537-31-1" , "14782-33-3" , "22541-77-1" , "24763-58-4" , "195161-77-4" ;
dbo:formula "V" ;
dbo:inchi "InChI=1S/V" ;
dbo:iupacName "Vanadium"@en ;
dbo:pubchem "23990"^^xsd:int ;
dbo:smiles "[V]" ;
dbp:inchikey "InChIKey=LEONUFNNVUYDNQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "vanadium (v)"@nl , "Vanadium (V)"@nl , "vanadium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)"@nl ;
skos:exactMatch wise:CAS_7440-62-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "V" ;
skos:prefLabel "vanadium"@nl ;
vcs:vmmParameterId "197"^^xsd:int , "198"^^xsd:int , "1979"^^xsd:int , "199"^^xsd:int .
csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:50465 ;
dbo:casNumber "69377-81-7" ;
dbo:formula "C7H5Cl2FN2O3" ;
dbo:inchi "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)" ;
dbo:iupacName "2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "50465"^^xsd:int ;
dbo:smiles "C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F" ;
dbp:inchikey "InChIKey=MEFQWPUMEMWTJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:exactMatch wise:CAS_69377-81-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurOxpr" ;
skos:prefLabel "fluroxypyr"@nl ;
vcs:vmmParameterId "1003"^^xsd:int .
csc:GRSQYISVQKPZCW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11733 ;
dbo:casNumber "598-77-6" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3" ;
dbo:iupacName "1,1,2-TRICHLOROPROPANE"@en ;
dbo:pubchem "11733"^^xsd:int ;
dbo:smiles "CC(C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=GRSQYISVQKPZCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TClC3a" ;
skos:prefLabel "1,1,2-trichloorpropaan"@nl .
csc:CFRPSFYHXJZSBI-DHZHZOJOSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3034287 ;
dbo:casNumber "150824-47-8" ;
dbo:formula "C11H15ClN4O2" ;
dbo:inchi "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+" ;
dbo:iupacName "[\"(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\", \"N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\"]"@en ;
dbo:pubchem "3034287"^^xsd:int ;
dbo:smiles "CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC" ;
dbp:inchikey "InChIKey=CFRPSFYHXJZSBI-DHZHZOJOSA-N" ;
skos:altLabel "e-nitenpyram"@nl ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "E-nitprm" ;
skos:prefLabel "E-nitenpyram"@nl .
csc:CHEMONTID_0003936
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003936 ;
skos:definition "Organosulfur compounds with the general formula R3SC(=S)N(R1)R2; R1-R2 = H or organyl group, R3 = organyl."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XJCLWVXTCRQIDI-UHFFFAOYSA-N , csc:NBBZMDUHKWRYSZ-UHFFFAOYSA-N , csc:JYRXPFCUABYLPD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003936" ;
skos:prefLabel "Dithiocarbamic acid esters"@en .
csc:FIADGNVRKBPQEU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27400 ;
dbo:casNumber "15574-96-6" ;
dbo:formula "C19H21NS" ;
dbo:inchi "InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3" ;
dbo:iupacName "1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine"@en ;
dbo:pubchem "27400"^^xsd:int ;
dbo:smiles "CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1" ;
dbp:inchikey "InChIKey=FIADGNVRKBPQEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piztfn" ;
skos:prefLabel "pizotifen"@nl .
csc:ITKAIUGKVKDENI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6451139 ;
dbo:casNumber "105779-78-0" ;
dbo:formula "C20H28ClN3O2" ;
dbo:inchi "InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)" ;
dbo:iupacName "5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine"@en ;
dbo:pubchem "6451139"^^xsd:int ;
dbo:smiles "CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl" ;
dbp:inchikey "InChIKey=ITKAIUGKVKDENI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrmdfn" ;
skos:prefLabel "pyrimidifen"@nl .
csc:MYPKGPZHHQEODQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31899 ;
dbo:casNumber "23422-53-9" , "18413-17-7" , "22259-30-9" , "26445-73-8" ;
dbo:formula "C11H16ClN3O2" ;
dbo:inchi "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" ;
dbo:iupacName "[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate hydrochloride"@en ;
dbo:pubchem "31899"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" ;
dbp:inchikey "InChIKey=MYPKGPZHHQEODQ-UHFFFAOYSA-N" ;
skos:altLabel "formetanaat"@nl ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formtnHCl" , "formtnt" ;
skos:prefLabel "formetanaat-hydrochloride"@nl .
csc:CHEMONTID_0001710
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001710 ;
skos:definition "Tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LRBQNJMCXXYXIU-PPKXGCFTSA-N ;
skos:notation "CHEMONTID:0001710" ;
skos:prefLabel "Hydrolyzable tannins"@en .
csc:DMYHGDXADUDKCQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86356 ;
dbo:casNumber "120928-09-8" ;
dbo:formula "C20H22N2O" ;
dbo:inchi "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" ;
dbo:iupacName "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline"@en ;
dbo:pubchem "86356"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32" ;
dbp:inchikey "InChIKey=DMYHGDXADUDKCQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenzqn" ;
skos:prefLabel "fenazaquin"@nl .
csc:OLBCVFGFOZPWHH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4943 ;
dbo:casNumber "2078-54-8" , "28449-97-0" , "50356-15-5" ;
dbo:formula "C12H18O" ;
dbo:inchi "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3" ;
dbo:iupacName "2,6-di(propan-2-yl)phenol"@en ;
dbo:pubchem "4943"^^xsd:int ;
dbo:smiles "CC(C)C1=C(C(=CC=C1)C(C)C)O" ;
dbp:inchikey "InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfl" ;
skos:prefLabel "propofol"@nl .
csc:CHEMONTID_0000000
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000000 ;
skos:definition "Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000000" ;
skos:prefLabel "Organic compounds"@en ;
skos:topConceptOf vlcs:chemische_stof .
csc:FYQGBXGJFWXIPP-UEVLXMDPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5372477 ;
dbo:casNumber "41205-09-8" , "36557-30-9" , "36804-82-7" , "38473-62-0" , "41096-46-2" ;
dbo:formula "C17H30O2" ;
dbo:inchi "InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+" ;
dbo:iupacName "['ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate', 'Ethyl 3,7,11-trimethyldodeca-2,4-dienoate']"@en ;
dbo:pubchem "5372477"^^xsd:int ;
dbo:smiles "CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=FYQGBXGJFWXIPP-UEVLXMDPSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hpn" ;
skos:prefLabel "hydropreen"@nl .
csc:OWXJKYNZGFSVRC-IHWYPQMZSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5326315 ;
dbo:casNumber "590-21-6" , "16136-84-8" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-" ;
dbo:iupacName "(Z)-1-chloroprop-1-ene"@en ;
dbo:pubchem "5326315"^^xsd:int ;
dbo:smiles "CC=CCl" ;
dbp:inchikey "InChIKey=OWXJKYNZGFSVRC-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1Cl1C3e" ;
skos:prefLabel "cis-1-chloor-1-propeen"@nl .
csc:RUELTTOHQODFPA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7040 ;
dbo:casNumber "137091-34-0" , "91-08-7" , "9017-01-0" , "168753-74-0" , "110839-12-8" ;
dbo:formula "C9H6N2O2" ;
dbo:inchi "InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3" ;
dbo:iupacName "1,3-Diisocyanato-2-methylbenzene"@en ;
dbo:pubchem "7040"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1N=C=O)N=C=O" ;
dbp:inchikey "InChIKey=RUELTTOHQODFPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26TolDiCN" ;
skos:prefLabel "2,6-tolueendiisocyanaat"@nl .
csc:QQCFBZCATDIWTH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:135290 ;
dbo:casNumber "68011-67-6" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)" ;
dbo:iupacName "9-hydroxybenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "135290"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O" ;
dbp:inchikey "InChIKey=QQCFBZCATDIWTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxcbmzpne" ;
skos:prefLabel "3-hydroxy carbamazepine"@nl .
csc:CHEMONTID_0001142
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001142 ;
skos:definition "Compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WDECIBYCCFPHNR-UHFFFAOYSA-N , csc:GOHBXWHNJHENRX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001142" ;
skos:prefLabel "Chrysenes"@en .
csc:CHEMONTID_0002767
skos:narrower csc:MNOJRWOWILAHAV-UHFFFAOYSA-N .
csc:JNCSIWAONQTVCF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9183 ;
dbo:casNumber "226-36-8" ;
dbo:formula "C21H13N" ;
dbo:inchi "InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H" ;
dbo:iupacName "2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9183"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=N3" ;
dbp:inchikey "InChIKey=JNCSIWAONQTVCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbenzahacdne" ;
skos:prefLabel "dibenz(a,h)acridine"@nl .
csc:DIOZMSACJPTBST-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86133 ;
dbo:casNumber "113136-77-9" ;
dbo:formula "C11H9Cl2NO3" ;
dbo:inchi "InChI=1S/C11H9Cl2NO3/c12-5-1-2-9(8(13)3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)" ;
dbo:iupacName "2-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid"@en ;
dbo:pubchem "86133"^^xsd:int ;
dbo:smiles "C1C(C1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=DIOZMSACJPTBST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycnlde" ;
skos:prefLabel "cyclanilide"@nl .
csc:FIGVVZUWCLSUEI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12534 ;
dbo:casNumber "638-67-5" ;
dbo:formula "C23H48" ;
dbo:inchi "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3" ;
dbo:iupacName "Tricosane"@en ;
dbo:pubchem "12534"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=FIGVVZUWCLSUEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C23a" ;
skos:prefLabel "tricosaan"@nl .
csc:CHEMONTID_0001057
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001057 ;
skos:definition "Inorganic non-metallic compounds containing a hypochlorite as its largest oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QWPPOHNGKGFGJK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001057" ;
skos:prefLabel "Non-metal hypochlorites"@en .
csc:HFDOVSPQVPECFP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154509 ;
dbo:casNumber "97038-95-4" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H" ;
dbo:iupacName "2,4-dibromo-1-(2,6-dibromophenyl)benzene"@en ;
dbo:pubchem "154509"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)C2=C(C=C(C=C2)Br)Br)Br" ;
dbp:inchikey "InChIKey=HFDOVSPQVPECFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE51" ;
skos:prefLabel "2,2',4,6'-tetrabroomdifenylether"@nl .
csc:JCYPECIVGRXBMO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6053 ;
dbo:casNumber "60-11-7" , "55964-95-9" , "77126-00-2" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3" ;
dbo:iupacName "N,N-dimethyl-4-phenyldiazenylaniline"@en ;
dbo:pubchem "6053"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=JCYPECIVGRXBMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yAoazBen" ;
skos:prefLabel "4-dimethylaminoazobenzeen"@nl .
csc:OHSVLFRHMCKCQY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23929 ;
dbo:casNumber "7439-94-3" , "110123-46-1" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu" ;
dbo:iupacName "LUTETIUM"@en ;
dbo:pubchem "23929"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "InChIKey=OHSVLFRHMCKCQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu" ;
skos:prefLabel "lutetium"@nl .
csc:OKHQKAVALRCESS-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80119 ;
dbo:casNumber "6022-22-6" ;
dbo:formula "C28H14N2Na2O10S2" ;
dbo:inchi "InChI=1S/C28H16N2O10S2.2Na/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34;;/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate"@en ;
dbo:pubchem "80119"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=OKHQKAVALRCESS-UHFFFAOYSA-L" ;
skos:altLabel "4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,diNa-zout"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAo11btcnn" ;
skos:prefLabel "4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,dina-zout"@nl .
csc:CHEMONTID_0000456
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000456 ;
skos:definition "Inorganic compounds belonging either to the alkali metal hydrides, the alkali metal nitrides, the alkali metal oxides, or the alkali metal sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000456" ;
skos:prefLabel "Alkali metal organides"@en .
csc:MIWRSUQXSCLDNV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37028 ;
dbo:casNumber "35045-02-4" ;
dbo:formula "C8H13N3OS" ;
dbo:inchi "InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)" ;
dbo:iupacName "6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one"@en ;
dbo:pubchem "37028"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NNC(=NC1=O)SC" ;
dbp:inchikey "InChIKey=MIWRSUQXSCLDNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbzdAo" ;
skos:prefLabel "metribuzin-desamino"@nl .
csc:NOOOMJZHMKSKBF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:140995 ;
dbo:casNumber "23069-99-0" ;
dbo:formula "C9H11NO" ;
dbo:inchi "InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)" ;
dbo:iupacName "N-(2-phenylethyl)formamide"@en ;
dbo:pubchem "140995"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCNC=O" ;
dbp:inchikey "InChIKey=NOOOMJZHMKSKBF-UHFFFAOYSA-N" ;
skos:altLabel "n-(2-fenylethyl)formamide"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2FyC2yfAd" ;
skos:prefLabel "N-(2-fenylethyl)formamide"@nl .
csc:MPBZUKLDHPOCLS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12068 ;
dbo:casNumber "618-87-1" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2" ;
dbo:iupacName "3,5-Dinitroaniline"@en ;
dbo:pubchem "12068"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=MPBZUKLDHPOCLS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2An" ;
skos:prefLabel "3,5-dinitroaniline"@nl .
csc:CHEMONTID_0002205
skos:narrower csc:AUODDLQVRAJAJM-GQYOKNPUSA-N .
csc:IZHZFAQWVKBTSL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62060 ;
dbo:casNumber "7378-10-1" , "53494-70-5" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2" ;
dbo:iupacName "1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one"@en ;
dbo:pubchem "62060"^^xsd:int ;
dbo:smiles "C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IZHZFAQWVKBTSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "endrin keton"@nl .
csc:JWSRMCCRAJUMLX-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8529 ;
dbo:casNumber "14047-61-1" , "130-13-2" ;
dbo:formula "C10H8NNaO3S" ;
dbo:inchi "InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1" ;
dbo:iupacName "sodium 4-aminonaphthalene-1-sulfonate"@en ;
dbo:pubchem "8529"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]" ;
dbp:inchikey "InChIKey=JWSRMCCRAJUMLX-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "naftontNa" ;
skos:prefLabel "nafthionaat natriumzout"@nl .
csc:AZDIXEXNLJMBJO-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61088 ;
dbo:casNumber "138-93-2" ;
dbo:formula "C2N2Na2S2" ;
dbo:inchi "InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2" ;
dbo:iupacName "disodium cyanoiminomethanedithiolate"@en ;
dbo:pubchem "61088"^^xsd:int ;
dbo:smiles "C(#N)N=C([S-])[S-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=AZDIXEXNLJMBJO-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DNaCNDtoimdC" ;
skos:prefLabel "dinatriumcyanodithioimidocarbonaat"@nl .
csc:AEXMKKGTQYQZCS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11229 ;
dbo:casNumber "562-49-2" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3" ;
dbo:iupacName "3,3-Dimethylpentane"@en ;
dbo:pubchem "11229"^^xsd:int ;
dbo:smiles "CCC(C)(C)CC" ;
dbp:inchikey "InChIKey=AEXMKKGTQYQZCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1yC5a" ;
skos:prefLabel "3,3-dimethylpentaan"@nl .
csc:CHEMONTID_0004091
skos:narrower csc:UQXKXGWGFRWILX-UHFFFAOYSA-N , csc:TZRXHJWUDPFEEY-UHFFFAOYSA-N , csc:SNIOPGDIGTZGOP-UHFFFAOYSA-N , csc:NKRVGWFEFKCZAP-UHFFFAOYSA-N , csc:LYAGTVMJGHTIDH-UHFFFAOYSA-N .
csc:GSEJCLTVZPLZKY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7618 ;
dbo:casNumber "36549-55-0" , "64114-46-1" , "36549-54-9" , "105655-27-4" , "102-71-6" , "36659-79-7" , "36549-53-8" , "20261-61-4" , "126068-67-5" ;
dbo:formula "C6H15NO3" ;
dbo:inchi "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" ;
dbo:iupacName "['2-(bis(2-hydroxyethynyl)amino)ethynol', '2-(bis(2-hydroxyethyl)amino)ethanol']"@en ;
dbo:pubchem "7618"^^xsd:int ;
dbo:smiles "C(CO)N(CCO)CCO" ;
dbp:inchikey "InChIKey=GSEJCLTVZPLZKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2olAe" ;
skos:prefLabel "triethanolamine"@nl .
csc:YKKYCYQDUUXNLN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37804 ;
dbo:casNumber "37680-66-3" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H" ;
dbo:iupacName "2,4-dichloro-1-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "37804"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YKKYCYQDUUXNLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB17" ;
skos:prefLabel "2,2',4-trichloorbifenyl"@nl .
csc:CHEMONTID_0002746
skos:narrower csc:OZVBMTJYIDMWIL-AYFBDAFISA-N .
csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37248 ;
dbo:casNumber "35693-99-3" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H" ;
dbo:iupacName "1,4-dichloro-2-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "37248"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HCWZEPKLWVAEOV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',5,5'-tetrachloorbifenyl (pcb52)"@nl , "PCB-52"@nl , "pcb-52"@nl , "pcb 52"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35693-99-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB52" ;
skos:prefLabel "2,2',5,5'-tetrachloorbifenyl"@nl ;
vcs:vmmParameterId "1418"^^xsd:int , "441"^^xsd:int .
csc:RRJUYQOFOMFVQS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12464 ;
dbo:casNumber "54686-91-8" , "634-67-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2" ;
dbo:iupacName "2,3,4-TRICHLOROANILINE"@en ;
dbo:pubchem "12464"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1N)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RRJUYQOFOMFVQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TClAn" ;
skos:prefLabel "2,3,4-trichlooraniline"@nl .
csc:LAIUFBWHERIJIH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11519 ;
dbo:casNumber "116502-43-3" , "589-81-1" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" ;
dbo:iupacName "3-Methylheptane"@en ;
dbo:pubchem "11519"^^xsd:int ;
dbo:smiles "CCCCC(C)CC" ;
dbp:inchikey "InChIKey=LAIUFBWHERIJIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC7a" ;
skos:prefLabel "3-methylheptaan"@nl .
csc:UGCNRZFAUBJVPT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6327054 ;
dbo:casNumber "13121-70-5" ;
dbo:formula "C18H35OSn" ;
dbo:inchi "InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;" ;
dbo:iupacName "tricyclohexyltin hydrate"@en ;
dbo:pubchem "6327054"^^xsd:int ;
dbo:smiles "C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O" ;
dbp:inchikey "InChIKey=UGCNRZFAUBJVPT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003940 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhxtn" ;
skos:prefLabel "cyhexatin"@nl .
csc:CHEMONTID_0004012
skos:narrower csc:RWPICVVBGZBXNA-UHFFFAOYSA-N , csc:NPOJQCVWMSKXDN-UHFFFAOYSA-N , csc:LQKWPGAPADIOSS-UHFFFAOYSA-N .
csc:IROINLKCQGIITA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13450 ;
dbo:casNumber "886-50-0" ;
dbo:formula "C10H19N5S" ;
dbo:inchi "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13450"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NC(C)(C)C" ;
dbp:inchikey "InChIKey=IROINLKCQGIITA-UHFFFAOYSA-N" ;
skos:altLabel "terbutrin"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_886-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbtn" ;
skos:prefLabel "terbutryn"@nl ;
vcs:vmmParameterId "282"^^xsd:int .
csc:CHEMONTID_0000435
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000435 ;
skos:definition "Inorganic non-metallic compounds containing an oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000435" ;
skos:prefLabel "Non-metal oxoanionic compounds"@en .
csc:CHEMONTID_0001662
skos:narrower csc:UUIVKBHZENILKB-UHFFFAOYSA-N .
csc:GOXQRTZXKQZDDN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7636 ;
dbo:casNumber "1322-13-0" , "78733-32-1" , "93460-77-6" , "126830-03-3" , "9003-77-4" , "84948-57-2" , "126830-02-2" , "103-11-7" ;
dbo:formula "C11H20O2" ;
dbo:inchi "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl prop-2-enoate"@en ;
dbo:pubchem "7636"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C=C" ;
dbp:inchikey "InChIKey=GOXQRTZXKQZDDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yaclt" ;
skos:prefLabel "2-ethylhexylacrylaat"@nl .
csc:HOERQTQCTISLFR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34475 ;
dbo:casNumber "29104-30-1" ;
dbo:formula "C18H18ClNO5" ;
dbo:inchi "InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3" ;
dbo:iupacName "[(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate"@en ;
dbo:pubchem "34475"^^xsd:int ;
dbo:smiles "CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=HOERQTQCTISLFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzxmt" ;
skos:prefLabel "benzoximaat"@nl .
csc:CHEMONTID_0003411
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003411 ;
skos:definition "Organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ONKNPOPIGWHAQC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003411" ;
skos:prefLabel "2-benzopyrans"@en .
csc:QCIFLGSATTWUQJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12165 ;
dbo:casNumber "623-08-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3" ;
dbo:iupacName "N,4-DIMETHYLANILINE"@en ;
dbo:pubchem "12165"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)NC" ;
dbp:inchikey "InChIKey=QCIFLGSATTWUQJ-UHFFFAOYSA-N" ;
skos:altLabel "N,4-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N4DC1yAn" ;
skos:prefLabel "n,4-dimethylaniline"@nl .
csc:XJWSAJYUBXQQDR-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14249 ;
dbo:casNumber "1119-94-4" , "157929-06-1" ;
dbo:formula "C15H34BrN" ;
dbo:inchi "InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dodecyl-trimethylazanium bromide"@en ;
dbo:pubchem "14249"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "InChIKey=XJWSAJYUBXQQDR-UHFFFAOYSA-M" ;
skos:altLabel "dodecyltrimethylammonium bromide"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12yTC1yNH4B" ;
skos:prefLabel "dodecyltrimethylammonium"@nl .
csc:CHEMONTID_0003809
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003809 ;
skos:definition "Glycerolipids that carry exactly two acyl chains attached to the glycerol moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003809" ;
skos:prefLabel "Diradylglycerols"@en .
csc:PUFGCEQWYLJYNJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17082 ;
dbo:casNumber "2432-90-8" ;
dbo:formula "C32H54O4" ;
dbo:inchi "InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3" ;
dbo:iupacName "didodecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "17082"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=PUFGCEQWYLJYNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC12yFt" ;
skos:prefLabel "didodecylftalaat"@nl .
csc:QFMDFTQOJHFVNR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6295 ;
dbo:casNumber "72-56-0" ;
dbo:formula "C18H20Cl2" ;
dbo:inchi "InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3" ;
dbo:iupacName "1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene"@en ;
dbo:pubchem "6295"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl" ;
dbp:inchikey "InChIKey=QFMDFTQOJHFVNR-UHFFFAOYSA-N" ;
skos:altLabel "perthane"@nl ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pertn" ;
skos:prefLabel "perthaan"@nl .
csc:WMWTYOKRWGGJOA-ZHLGSTKJSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54580 ;
dbo:casNumber "80474-14-2" ;
dbo:formula "C25H31F3O5S" ;
dbo:inchi "InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1" ;
dbo:iupacName "[(6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"@en ;
dbo:pubchem "54580"^^xsd:int ;
dbo:smiles "CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF" ;
dbp:inchikey "InChIKey=WMWTYOKRWGGJOA-ZHLGSTKJSA-N" ;
skos:broader csc:CHEMONTID_0001691 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutcsppont" ;
skos:prefLabel "fluticasonpropionaat"@nl .
csc:MWKFXSUHUHTGQN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8174 ;
dbo:casNumber "70084-71-8" , "85566-12-7" , "36729-58-5" , "118374-94-0" , "66455-17-2" , "112-30-1" ;
dbo:formula "C10H22O" ;
dbo:inchi "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" ;
dbo:iupacName "DECAN-1-OL"@en ;
dbo:pubchem "8174"^^xsd:int ;
dbo:smiles "CCCCCCCCCCO" ;
dbp:inchikey "InChIKey=MWKFXSUHUHTGQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C10ol" ;
skos:prefLabel "1-decanol"@nl .
csc:CHEMONTID_0001100
skos:narrower csc:RFHAOTPXVQNOHP-UHFFFAOYSA-N , csc:PYLWMHQQBFSUBP-UHFFFAOYSA-N , csc:FQKUGOMFVDPBIZ-UHFFFAOYSA-N .
csc:XZWYZXLIPXDOLR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4091 ;
dbo:casNumber "4931-70-8" , "657-24-9" ;
dbo:formula "C4H11N5" ;
dbo:inchi "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" ;
dbo:iupacName "3-(diaminomethylidene)-1,1-dimethylguanidine"@en ;
dbo:pubchem "4091"^^xsd:int ;
dbo:smiles "CN(C)C(=N)N=C(N)N" ;
dbp:inchikey "InChIKey=XZWYZXLIPXDOLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000474 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metfmne" ;
skos:prefLabel "metformine"@nl .
csc:CHEMONTID_0003952
skos:narrower csc:XOGPDSATLSAZEK-UHFFFAOYSA-N .
csc:KEMQGTRYUADPNZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10465 ;
dbo:casNumber "39390-60-8" , "8034-56-8" , "8034-58-0" , "52051-63-5" , "1338-46-1" , "8043-36-5" , "506-12-7" , "68424-37-3" , "28829-31-4" , "45237-52-3" , "8000-11-1" , "176435-16-8" , "67701-03-5" , "63399-94-0" , "7722-21-6" , "37231-04-2" , "67255-22-5" , "45237-51-2" , "8034-57-9" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)" ;
dbo:iupacName "Heptadecanoic acid"@en ;
dbo:pubchem "10465"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C17azr" ;
skos:prefLabel "heptadecaanzuur"@nl .
csc:STNJBCKSHOAVAJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6562 ;
dbo:casNumber "78-85-3" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" ;
dbo:iupacName "2-methylprop-2-enal"@en ;
dbo:pubchem "6562"^^xsd:int ;
dbo:smiles "CC(=C)C=O" ;
dbp:inchikey "InChIKey=STNJBCKSHOAVAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cy12C3eal" ;
skos:prefLabel "2-methyl-2 propenal"@nl .
csc:SGNXVBOIDPPRJJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:431734 ;
dbo:casNumber "64285-06-9" ;
dbo:formula "C10H15NO" ;
dbo:inchi "InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3" ;
dbo:iupacName "1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone"@en ;
dbo:pubchem "431734"^^xsd:int ;
dbo:smiles "CC(=O)C1=CCCC2CCC1N2" ;
dbp:inchikey "InChIKey=SGNXVBOIDPPRJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001465 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "antxna" ;
skos:prefLabel "anatoxine-a"@nl .
csc:QPUYECUOLPXSFR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7002 ;
dbo:casNumber "90-12-0" , "1321-94-4" , "78900-94-4" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" ;
dbo:iupacName "1-Methylnaphthalene"@en ;
dbo:pubchem "7002"^^xsd:int ;
dbo:smiles "CC1=CC=CC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=QPUYECUOLPXSFR-UHFFFAOYSA-N" ;
skos:altLabel "methylnaftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1yNaf" , "C1yNaf" ;
skos:prefLabel "1-methylnaftaleen"@nl .
csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91590 ;
dbo:casNumber "28159-98-0" ;
dbo:formula "C11H19N5S" ;
dbo:inchi "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "N-tert-butyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "91590"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC" ;
dbp:inchikey "InChIKey=HDHLIWCXDDZUFH-UHFFFAOYSA-N" ;
skos:altLabel "cybutryne"@nl , "cybutrine"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_28159-98-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "irgrl" ;
skos:prefLabel "irgarol"@nl ;
vcs:vmmParameterId "1506"^^xsd:int .
csc:CVZDIUZSWUDGOP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:147017 ;
dbo:casNumber "26542-23-4" ;
dbo:formula "C4H3Cl2NOS" ;
dbo:inchi "InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3" ;
dbo:iupacName "4,5-dichloro-2-methyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "147017"^^xsd:int ;
dbo:smiles "CN1C(=O)C(=C(S1)Cl)Cl" ;
dbp:inchikey "InChIKey=CVZDIUZSWUDGOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2C1y4it" ;
skos:prefLabel "4,5-dichloor-2-methyl-4-isothiazoline-3-on"@nl .
csc:HPYNZHMRTTWQTB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11420 ;
dbo:casNumber "27175-64-0" , "583-61-9" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3" ;
dbo:iupacName "2,3-Dimethylpyridine"@en ;
dbo:pubchem "11420"^^xsd:int ;
dbo:smiles "CC1=C(N=CC=C1)C" ;
dbp:inchikey "InChIKey=HPYNZHMRTTWQTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yprdne" ;
skos:prefLabel "2,3-dimethylpyridine"@nl .
csc:YKSNLCVSTHTHJA-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25553 ;
dbo:casNumber "301-03-1" , "12427-38-2" , "11004-49-2" , "28355-56-8" , "12125-33-6" , "20316-06-7" ;
dbo:formula "C4H6MnN2S4" ;
dbo:inchi "InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" ;
dbo:iupacName "manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "25553"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Mn+2]" ;
dbp:inchikey "InChIKey=YKSNLCVSTHTHJA-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manb" ;
skos:prefLabel "maneb"@nl .
csc:WVYWICLMDOOCFB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7910 ;
dbo:casNumber "40747-85-1" , "108-11-2" , "72847-31-5" , "20281-88-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" ;
dbo:iupacName "4-Methylpentan-2-ol"@en ;
dbo:pubchem "7910"^^xsd:int ;
dbo:smiles "CC(C)CC(C)O" ;
dbp:inchikey "InChIKey=WVYWICLMDOOCFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2C5ol" ;
skos:prefLabel "4-methyl-2-pentanol"@nl .
csc:LUBCGHUOCJOIJA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61105 ;
dbo:casNumber "354-14-3" , "134237-32-4" ;
dbo:formula "C2HCl4F" ;
dbo:inchi "InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "1,1,2,2-Tetrachloro-1-fluoroethane"@en ;
dbo:pubchem "61105"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=LUBCGHUOCJOIJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK121" ;
skos:prefLabel "1,1,2,2-tetrachloor-1-fluorethaan"@nl .
csc:FOLPKOWCPVGUCA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25982 ;
dbo:casNumber "13429-07-7" , "1321-21-7" ;
dbo:formula "C7H16O3" ;
dbo:inchi "InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "1-(2-Methoxypropoxy)propan-2-ol"@en ;
dbo:pubchem "25982"^^xsd:int ;
dbo:smiles "CC(COCC(C)OC)O" ;
dbp:inchikey "InChIKey=FOLPKOWCPVGUCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C1oxC3ox2C" ;
skos:prefLabel "1-(2-methoxypropoxy)-2-propanol"@nl .
csc:CHEMONTID_0003384
skos:narrower csc:ZVZQKNVMDKSGGF-UHFFFAOYSA-N , csc:ZIBCESDMUREVIU-UHFFFAOYSA-N , csc:XWSLYQXUTWUIKM-UHFFFAOYSA-N , csc:NTAHCMPOMKHKEU-AATRIKPKSA-N , csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N , csc:DGLIBALSRMUQDD-UHFFFAOYSA-N .
csc:MBGGFXOXUIDRJD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31233 ;
dbo:casNumber "122-94-1" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3" ;
dbo:iupacName "4-Butoxyphenol"@en ;
dbo:pubchem "31233"^^xsd:int ;
dbo:smiles "CCCCOC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=MBGGFXOXUIDRJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004628 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C4oxFol" ;
skos:prefLabel "4-butoxyfenol"@nl .
csc:PZIMIYVOZBTARW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6828 ;
dbo:casNumber "85-98-3" ;
dbo:formula "C17H20N2O" ;
dbo:inchi "InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3" ;
dbo:iupacName "1,3-diethyl-1,3-di(phenyl)urea"@en ;
dbo:pubchem "6828"^^xsd:int ;
dbo:smiles "CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=PZIMIYVOZBTARW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC2y13Dfyu" ;
skos:prefLabel "1,3-diethyl-1,3-difenylureum"@nl .
csc:NTDQQZYCCIDJRK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15730 ;
dbo:casNumber "1806-26-4" , "71902-25-5" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3" ;
dbo:iupacName "4-OCTYLPHENOL"@en ;
dbo:pubchem "15730"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=NTDQQZYCCIDJRK-UHFFFAOYSA-N" ;
skos:altLabel "octylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_1806-26-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C8yFol" ;
skos:prefLabel "4-n-octylfenol"@nl ;
vcs:vmmParameterId "827"^^xsd:int .
csc:CHEMONTID_0004532
skos:narrower csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N , csc:VXLYOURCUVQYLN-UHFFFAOYSA-N , csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N , csc:GPXLRLUVLMHHIK-UHFFFAOYSA-N , csc:DCUJJWWUNKIJPH-UHFFFAOYSA-N , csc:CFRPSFYHXJZSBI-DHZHZOJOSA-N .
csc:LFZGYTBWUHCAKF-DCNJEFSFSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:71476 ;
dbo:casNumber "154-21-2" , "7179-49-9" ;
dbo:formula "C18H37ClN2O7S" ;
dbo:inchi "InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1" ;
dbo:iupacName "(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrate hydrochloride"@en ;
dbo:pubchem "71476"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.O.Cl" ;
dbp:inchikey "InChIKey=LFZGYTBWUHCAKF-DCNJEFSFSA-N" ;
skos:broader csc:CHEMONTID_0004322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lincmcne" ;
skos:prefLabel "lincomycine"@nl .
csc:GUVRBAGPIYLISA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23956 ;
dbo:casNumber "7440-25-7" ;
dbo:formula "Ta" ;
dbo:inchi "InChI=1S/Ta" ;
dbo:iupacName "TANTALUM"@en ;
dbo:pubchem "23956"^^xsd:int ;
dbo:smiles "[Ta]" ;
dbp:inchikey "InChIKey=GUVRBAGPIYLISA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ta" ;
skos:prefLabel "tantalium"@nl .
csc:CHEMONTID_0001073
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001073 ;
skos:definition "Inorganic non-metallic compoundscontaining a phosphate as its largest oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NBIIXXVUZAFLBC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001073" ;
skos:prefLabel "Non-metal phosphates"@en .
csc:YASAKCUCGLMORW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77999 ;
dbo:casNumber "122320-73-4" ;
dbo:formula "C18H19N3O3S" ;
dbo:inchi "InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)" ;
dbo:iupacName "5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"@en ;
dbo:pubchem "77999"^^xsd:int ;
dbo:smiles "CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3" ;
dbp:inchikey "InChIKey=YASAKCUCGLMORW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rosgtzn" ;
skos:prefLabel "rosiglitazon"@nl .
csc:GTDQGKWDWVUKTI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11086 ;
dbo:casNumber "551-93-9" , "27941-88-4" ;
dbo:formula "C8H9NO" ;
dbo:inchi "InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3" ;
dbo:iupacName "1-(2-aminophenyl)ethanone"@en ;
dbo:pubchem "11086"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CC=C1N" ;
dbp:inchikey "InChIKey=GTDQGKWDWVUKTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aoactfnn" ;
skos:prefLabel "2-aminoacetofenon"@nl .
csc:CHEMONTID_0000472
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000472 ;
skos:definition "Compounds comprising one or more hydroxy acid groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000472" ;
skos:prefLabel "Hydroxy acids and derivatives"@en .
csc:RJBJMKAMQIOAML-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16589 ;
dbo:casNumber "2179-25-1" ;
dbo:formula "C11H15NO4S" ;
dbo:inchi "InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16589"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=RJBJMKAMQIOAML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocbsfn" ;
skos:prefLabel "methiocarbsulfon"@nl .
csc:IRLYGRLEBKCYPY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11868 ;
dbo:casNumber "81789-92-6" , "609-54-1" ;
dbo:formula "C8H10O3S" ;
dbo:inchi "InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)" ;
dbo:iupacName "2,5-DIMETHYLBENZENESULFONIC ACID"@en ;
dbo:pubchem "11868"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=IRLYGRLEBKCYPY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yBensfz" ;
skos:prefLabel "2,5-dimethylbenzeenesulfonzuur"@nl .
csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5461123 ;
dbo:casNumber "72516-03-1" , "7803-62-5" , "152284-21-4" , "72516-02-0" , "71536-23-7" , "90337-93-2" , "157383-37-4" , "72516-01-9" , "160371-18-6" , "7440-21-3" , "17375-03-0" ;
dbo:formula "Si" ;
dbo:inchi "InChI=1S/Si" ;
dbo:iupacName "Silicon"@en ;
dbo:pubchem "5461123"^^xsd:int ;
dbo:smiles "[Si]" ;
dbp:inchikey "InChIKey=XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ;
skos:altLabel "silicium"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:exactMatch wise:CAS_7440-21-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Si" ;
skos:prefLabel "silicium, opgelost"@nl ;
vcs:vmmParameterId "1083"^^xsd:int , "1082"^^xsd:int , "1967"^^xsd:int , "184"^^xsd:int .
csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3289 ;
dbo:casNumber "13194-48-4" ;
dbo:formula "C8H19O2PS2" ;
dbo:inchi "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" ;
dbo:iupacName "1-(ethoxy-propylsulfanylphosphoryl)sulfanylpropane"@en ;
dbo:pubchem "3289"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)SCCC" ;
dbp:inchikey "InChIKey=VJYFKVYYMZPMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_13194-48-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etpfs" ;
skos:prefLabel "ethoprofos"@nl ;
vcs:vmmParameterId "416"^^xsd:int .
csc:XEMRAKSQROQPBR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7367 ;
dbo:casNumber "61878-57-7" , "26601-65-0" , "98-07-7" , "30583-33-6" ;
dbo:formula "C7H5Cl3" ;
dbo:inchi "InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Trichloromethylbenzene"@en ;
dbo:pubchem "7367"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=XEMRAKSQROQPBR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "111TClTol" ;
skos:prefLabel "1,1,1-trichloortolueen"@nl .
csc:VTHJTEIRLNZDEV-UHFFFAOYSA-L
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14791 ;
dbo:casNumber "12195-86-7" , "13760-51-5" , "1309-42-8" , "1317-43-7" ;
dbo:formula "H2MgO2" ;
dbo:inchi "InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2" ;
dbo:iupacName "Magnesium dihydroxide"@en ;
dbo:pubchem "14791"^^xsd:int ;
dbo:smiles "[OH-].[OH-].[Mg+2]" ;
dbp:inchikey "InChIKey=VTHJTEIRLNZDEV-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgOH2" ;
skos:prefLabel "magnesiumhydroxide"@nl .
csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7249 ;
dbo:casNumber "95-65-8" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" ;
dbo:iupacName "3,4-Dimethylphenol"@en ;
dbo:pubchem "7249"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)O)C" ;
dbp:inchikey "InChIKey=YCOXTKKNXUZSKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:exactMatch wise:CAS_95-65-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yFol" ;
skos:prefLabel "3,4-dimethylfenol"@nl ;
vcs:vmmParameterId "716"^^xsd:int .
csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7285 ;
dbo:casNumber "96-18-4" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" ;
dbo:iupacName "1,2,3-Trichloropropane"@en ;
dbo:pubchem "7285"^^xsd:int ;
dbo:smiles "C(C(CCl)Cl)Cl" ;
dbp:inchikey "InChIKey=CFXQEHVMCRXUSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_96-18-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClC3a" ;
skos:prefLabel "1,2,3-trichloorpropaan"@nl ;
vcs:vmmParameterId "315"^^xsd:int .
csc:CHEMONTID_0004511
skos:narrower csc:RHUYHJGZWVXEHW-UHFFFAOYSA-N , csc:NIIPNAJXERMYOG-UHFFFAOYSA-N , csc:HDZGCSFEDULWCS-UHFFFAOYSA-N .
csc:FMZXNVLFJHCSAF-DNVCBOLYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21743 ;
dbo:casNumber "5575-21-3" ;
dbo:formula "C20H18N4O5S2" ;
dbo:inchi "InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1" ;
dbo:iupacName "(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "21743"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N" ;
dbp:inchikey "InChIKey=FMZXNVLFJHCSAF-DNVCBOLYSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefalonium"@nl .
csc:CHEMONTID_0000308
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000308 ;
skos:definition "Organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000308" ;
skos:prefLabel "Benzothiadiazines"@en .
csc:XSFJVAJPIHIPKU-XWCQMRHXSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:82153 ;
dbo:casNumber "3385-03-3" ;
dbo:formula "C24H31FO6" ;
dbo:inchi "InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "82153"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C" ;
dbp:inchikey "InChIKey=XSFJVAJPIHIPKU-XWCQMRHXSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flunslde" ;
skos:prefLabel "flunisolide"@nl .
csc:CHEMONTID_0003278
skos:narrower csc:VYZCFAPUHSSYCC-UHFFFAOYSA-N , csc:JOXIMZWYDAKGHI-UHFFFAOYSA-N .
csc:XOFYZVNMUHMLCC-ZPOLXVRWSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5865 ;
dbo:casNumber "53-03-2" , "68-59-7" ;
dbo:formula "C21H26O5" ;
dbo:inchi "InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione"@en ;
dbo:pubchem "5865"^^xsd:int ;
dbo:smiles "CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C" ;
dbp:inchikey "InChIKey=XOFYZVNMUHMLCC-ZPOLXVRWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prednsn" ;
skos:prefLabel "prednison"@nl .
csc:FQKUGOMFVDPBIZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73675 ;
dbo:casNumber "96827-34-8" , "85509-19-9" ;
dbo:formula "C16H15F2N3Si" ;
dbo:inchi "InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3" ;
dbo:iupacName "bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane"@en ;
dbo:pubchem "73675"^^xsd:int ;
dbo:smiles "C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F" ;
dbp:inchikey "InChIKey=FQKUGOMFVDPBIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluslzl" ;
skos:prefLabel "flusilazool"@nl .
csc:NPAWGLOPXKCTCV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17630 ;
dbo:casNumber "2719-63-3" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-5-ylbenzene"@en ;
dbo:pubchem "17630"^^xsd:int ;
dbo:smiles "CCCCCCCC(CCCC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NPAWGLOPXKCTCV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4yC8yBen" ;
skos:prefLabel "(1-butyloctyl)-benzeen"@nl .
csc:KLIHYVJAYWCEDM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9176 ;
dbo:casNumber "224-41-9" ;
dbo:formula "C22H14" ;
dbo:inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H" ;
dbo:iupacName "pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9176"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5C=C4" ;
dbp:inchikey "InChIKey=KLIHYVJAYWCEDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBajAnt" ;
skos:prefLabel "dibenzo(a,j)antraceen"@nl .
csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6979 ;
dbo:casNumber "89-63-4" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2" ;
dbo:iupacName "4-Chloro-2-nitroaniline"@en ;
dbo:pubchem "6979"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=PBGKNXWGYQPUJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-63-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2An" ;
skos:prefLabel "4-chloor-2-nitroaniline"@nl ;
vcs:vmmParameterId "361"^^xsd:int .
csc:AXCZMVOFGPJBDE-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14777 ;
dbo:casNumber "1305-62-0" , "7719-01-9" , "1333-29-5" ;
dbo:formula "CaH2O2" ;
dbo:inchi "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2" ;
dbo:iupacName "Calcium dihydroxide"@en ;
dbo:pubchem "14777"^^xsd:int ;
dbo:smiles "[OH-].[OH-].[Ca+2]" ;
dbp:inchikey "InChIKey=AXCZMVOFGPJBDE-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaOH2" ;
skos:prefLabel "calciumdihydroxide"@nl .
csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16559 ;
dbo:casNumber "2164-08-1" ;
dbo:formula "C13H18N2O2" ;
dbo:inchi "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" ;
dbo:iupacName "3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione"@en ;
dbo:pubchem "16559"^^xsd:int ;
dbo:smiles "C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O" ;
dbp:inchikey "InChIKey=ZTMKADLOSYKWCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004161 ;
skos:exactMatch wise:CAS_2164-08-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lencl" ;
skos:prefLabel "lenacil"@nl ;
vcs:vmmParameterId "1084"^^xsd:int .
csc:ZRKWMRDKSOPRRS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12699 ;
dbo:casNumber "684-93-5" , "28606-00-0" , "820-60-0" , "126742-50-5" ;
dbo:formula "C2H5N3O2" ;
dbo:inchi "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)" ;
dbo:iupacName "1-Methyl-1-nitrosourea"@en ;
dbo:pubchem "12699"^^xsd:int ;
dbo:smiles "CN(C(=O)N)N=O" ;
dbp:inchikey "InChIKey=ZRKWMRDKSOPRRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002444 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yNOurm" ;
skos:prefLabel "methylnitrosoureum"@nl .
csc:WEHWNAOGRSTTBQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8902 ;
dbo:casNumber "142-84-7" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" ;
dbo:iupacName "N-propylpropan-1-amine"@en ;
dbo:pubchem "8902"^^xsd:int ;
dbo:smiles "CCCNCCC" ;
dbp:inchikey "InChIKey=WEHWNAOGRSTTBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yAe" ;
skos:prefLabel "dipropylamine"@nl .
csc:TZIHFWKZFHZASV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7865 ;
dbo:casNumber "107-31-3" ;
dbo:formula "C2H4O2" ;
dbo:inchi "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" ;
dbo:iupacName "METHYL FORMATE"@en ;
dbo:pubchem "7865"^^xsd:int ;
dbo:smiles "COC=O" ;
dbp:inchikey "InChIKey=TZIHFWKZFHZASV-UHFFFAOYSA-N" ;
skos:altLabel "methylformaat"@nl , "methylformiaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yfmt" ;
skos:prefLabel "methylformiaat "@nl .
csc:DUFVKSUJRWYZQP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91758 ;
dbo:casNumber "98886-44-3" ;
dbo:formula "C9H18NO3PS2" ;
dbo:inchi "InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3" ;
dbo:iupacName "3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one"@en ;
dbo:pubchem "91758"^^xsd:int ;
dbo:smiles "CCC(C)SP(=O)(N1CCSC1=O)OCC" ;
dbp:inchikey "InChIKey=DUFVKSUJRWYZQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000226 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fostazt" ;
skos:prefLabel "fosthiazaat"@nl .
csc:GMBRUAIJEFRHFQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033865 ;
dbo:casNumber "103112-35-2" ;
dbo:formula "C12H8Cl5N3O2" ;
dbo:inchi "InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3" ;
dbo:iupacName "ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate"@en ;
dbo:pubchem "3033865"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=GMBRUAIJEFRHFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fecrzlC2y" ;
skos:prefLabel "fenchlorazool-ethyl"@nl .
csc:AWJUIBRHMBBTKR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8405 ;
dbo:casNumber "119-65-3" ;
dbo:formula "C9H7N" ;
dbo:inchi "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" ;
dbo:iupacName "Isoquinoline"@en ;
dbo:pubchem "8405"^^xsd:int ;
dbo:smiles "C1=CC=C2C=NC=CC2=C1" ;
dbp:inchikey "InChIKey=AWJUIBRHMBBTKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iqnlne" ;
skos:prefLabel "isoquinoline"@nl .
csc:VJHCJDRQFCCTHL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24748 ;
dbo:casNumber "204336-41-4" , "191616-54-3" , "196886-89-2" , "9000-11-7" , "177317-30-5" ;
dbo:formula "C8H16O8" ;
dbo:inchi "InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 2,3,4,5,6-pentahydroxyhexanal"@en ;
dbo:pubchem "24748"^^xsd:int ;
dbo:smiles "CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O" ;
dbp:inchikey "InChIKey=VJHCJDRQFCCTHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CMC" ;
skos:prefLabel "carboxymethylcellulose (CMC)"@nl .
csc:LZDKZFUFMNSQCJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12375 ;
dbo:casNumber "629-14-1" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "1,2-Diethoxyethane"@en ;
dbo:pubchem "12375"^^xsd:int ;
dbo:smiles "CCOCCOCC" ;
dbp:inchikey "InChIKey=LZDKZFUFMNSQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC2oxC2a" ;
skos:prefLabel "1,2-diethoxyethaan (diethylglycol)"@nl .
csc:MQCPOLNSJCWPGT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:75575 ;
dbo:casNumber "2467-02-9" ;
dbo:formula "C13H12O2" ;
dbo:inchi "InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2" ;
dbo:iupacName "2-[(2-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "75575"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC2=CC=CC=C2O)O" ;
dbp:inchikey "InChIKey=MQCPOLNSJCWPGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolF" ;
skos:prefLabel "bisfenol-F"@nl .
csc:DQZCVNGCTZLGAQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16554 ;
dbo:casNumber "2163-69-1" ;
dbo:formula "C11H22N2O" ;
dbo:inchi "InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)" ;
dbo:iupacName "3-Cyclooctyl-1,1-dimethylurea"@en ;
dbo:pubchem "16554"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1CCCCCCC1" ;
dbp:inchikey "InChIKey=DQZCVNGCTZLGAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycrn" ;
skos:prefLabel "cycluron"@nl .
csc:CHEMONTID_0004484
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004484 ;
skos:definition "Organic compounds containing a phosphorous acid, which is tri-esterified with alkyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DECPGQLXYYCNEZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004484" ;
skos:prefLabel "Trialkylphosphites"@en .
csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11123 ;
dbo:casNumber "554-00-7" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2" ;
dbo:iupacName "2,4-Dichloroaniline"@en ;
dbo:pubchem "11123"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)N" ;
dbp:inchikey "InChIKey=KQCMTOWTPBNWDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_554-00-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClAn" ;
skos:prefLabel "2,4-dichlooraniline"@nl ;
vcs:vmmParameterId "44"^^xsd:int .
csc:NZNRRXXETLSZRO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10372 ;
dbo:casNumber "500-28-7" ;
dbo:formula "C8H9ClNO5PS" ;
dbo:inchi "InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "10372"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=NZNRRXXETLSZRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clton" ;
skos:prefLabel "chloorthion"@nl .
csc:PZOIECHFNQBYRT-YRNVUSSQSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5491760 ;
dbo:casNumber "39184-59-3" ;
dbo:formula "C9H18N2O4S" ;
dbo:inchi "InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+" ;
dbo:iupacName "[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5491760"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C" ;
dbp:inchikey "InChIKey=PZOIECHFNQBYRT-YRNVUSSQSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnsfn" ;
skos:prefLabel "thiofanox-sulfon"@nl .
csc:IOVCWXUNBOPUCH-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:946 ;
dbo:casNumber "14797-65-0" , "12183-96-9" , "114466-53-4" ;
dbo:formula "NO2-" ;
dbo:inchi "InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1" ;
dbo:iupacName "NITRITE"@en ;
dbo:pubchem "946"^^xsd:int ;
dbo:smiles "N(=O)[O-]" ;
dbp:inchikey "InChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-M" ;
dct:isReferencedBy co:CMA_2_IV_4 , co:WAC_III_C_002 ;
skos:exactMatch wise:CAS_14797-65-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2" ;
skos:prefLabel "nitriet"@nl ;
vcs:vmmParameterId "10"^^xsd:int , "9"^^xsd:int .
csc:CHEMONTID_0000430
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000430 ;
skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XLROVYAPLOFLNU-UHFFFAOYSA-N , csc:LFNLGNPSGWYGGD-OUBTZVSYSA-N , csc:HGLDOAKPQXAFKI-IGMARMGPSA-N , csc:ORQBXQOJMQIAOY-UHFFFAOYSA-N , csc:LXQXZNRPTYVCNG-BJUDXGSMSA-N , csc:JFALSRSLKYAFGM-BJUDXGSMSA-N , csc:HGLDOAKPQXAFKI-YPZZEJLDSA-N , csc:CKBRQZNRCSJHFT-NJFSPNSNSA-N , csc:NIWWFAAXEMMFMS-AHCXROLUSA-N , csc:LXQXZNRPTYVCNG-UHFFFAOYSA-N , csc:HGLDOAKPQXAFKI-UHFFFAOYSA-N , csc:OYEHPCDNVJXUIW-FTXFMUIASA-N , csc:ZSLUVFAKFWKJRC-NJFSPNSNSA-N , csc:OYEHPCDNVJXUIW-VENIDDJXSA-N , csc:MQVSLOYRCXQRPM-UHFFFAOYSA-N , csc:ZSLUVFAKFWKJRC-AHCXROLUSA-N , csc:JFALSRSLKYAFGM-OIOBTWANSA-N , csc:OYEHPCDNVJXUIW-AHCXROLUSA-N , csc:JFALSRSLKYAFGM-AHCXROLUSA-N , csc:LXQXZNRPTYVCNG-YPZZEJLDSA-N , csc:LFNLGNPSGWYGGD-UHFFFAOYSA-N , csc:ZSLUVFAKFWKJRC-FTXFMUIASA-N , csc:XLROVYAPLOFLNU-NJFSPNSNSA-N , csc:LFNLGNPSGWYGGD-IGMARMGPSA-N , csc:CNQCVBJFEGMYDW-UHFFFAOYSA-N , csc:NIWWFAAXEMMFMS-YPZZEJLDSA-N , csc:NIWWFAAXEMMFMS-UHFFFAOYSA-N , csc:ZSLUVFAKFWKJRC-UHFFFAOYSA-N , csc:XLROVYAPLOFLNU-BJUDXGSMSA-N , csc:JFALSRSLKYAFGM-NOHWODKXSA-N , csc:QQINRWTZWGJFDB-UHFFFAOYSA-N , csc:QQINRWTZWGJFDB-OUBTZVSYSA-N , csc:ZSLUVFAKFWKJRC-YPZZEJLDSA-N , csc:XLROVYAPLOFLNU-IGMARMGPSA-N , csc:ZSLUVFAKFWKJRC-BJUDXGSMSA-N , csc:OYEHPCDNVJXUIW-NOHWODKXSA-N , csc:PWVKJRSRVJTHTR-UHFFFAOYSA-N , csc:CKBRQZNRCSJHFT-UHFFFAOYSA-N , csc:MIORUQGGZCBUGO-UHFFFAOYSA-N , csc:OYEHPCDNVJXUIW-UHFFFAOYSA-N , csc:ZSLUVFAKFWKJRC-OIOBTWANSA-N , csc:JFALSRSLKYAFGM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000430" ;
skos:prefLabel "Homogeneous actinide compounds"@en .
csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:7247 ;
dbo:casNumber "95-63-6" , "95-36-3" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" ;
dbo:iupacName "1,2,4-Trimethylbenzene"@en ;
dbo:pubchem "7247"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)C" ;
dbp:inchikey "InChIKey=GWHJZXXIDMPWGX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_95-63-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124TC1yBen" ;
skos:prefLabel "1,2,4-trimethylbenzeen"@nl ;
vcs:vmmParameterId "539"^^xsd:int .
csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42540 ;
dbo:casNumber "57653-85-7" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H" ;
dbo:iupacName "1,2,3,6,7,8-hexachlorooxanthrene"@en ;
dbo:pubchem "42540"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YCLUIPQDHHPDJJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,6,7,8-hexachloordibenzodioxine"@nl , "1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)"@nl , "1,2,3,6,7,8-hexachloordibenzodioxine"@nl , "1,2,3,6,7,8-hexachloordibenzo-para-dioxine"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_57653-85-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD67" ;
skos:prefLabel "1,2,3,6,7,8-hexachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "1249"^^xsd:int .
csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62773 ;
dbo:casNumber "23560-59-0" , "77107-77-8" ;
dbo:formula "C9H12ClO4P" ;
dbo:inchi "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3" ;
dbo:iupacName "(6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate"@en ;
dbo:pubchem "62773"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC1=C(C2C1CC=C2)Cl" ;
dbp:inchikey "InChIKey=GBAWQJNHVWMTLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:exactMatch wise:CAS_23560-59-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "heptnfs" ;
skos:prefLabel "heptenofos"@nl ;
vcs:vmmParameterId "730"^^xsd:int .
csc:ZLBGSRMUSVULIE-SJRQICMCSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436638 ;
dbo:casNumber "51596-10-2" ;
dbo:formula "C31H44O7" ;
dbo:inchi "InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1" ;
dbo:iupacName "(1R,4S,5'S,6R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6436638"^^xsd:int ;
dbo:smiles "CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C" ;
dbp:inchikey "InChIKey=ZLBGSRMUSVULIE-SJRQICMCSA-N" ;
skos:altLabel "milbemycin a3"@nl ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "milbmcA3" ;
skos:prefLabel "milbemycin A3"@nl .
csc:CHEMONTID_0001572
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001572 ;
skos:definition "Organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XIUROWKZWPIAIB-UHFFFAOYSA-N , csc:XFBJRFNXPUCPKU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001572" ;
skos:prefLabel "Thiophosphoric acid esters"@en .
csc:QMGVPVSNSZLJIA-FVWCLLPLSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441071 ;
dbo:casNumber "57-24-9" ;
dbo:formula "C21H22N2O2" ;
dbo:inchi "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1" ;
dbo:iupacName "(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one"@en ;
dbo:pubchem "441071"^^xsd:int ;
dbo:smiles "C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75" ;
dbp:inchikey "InChIKey=QMGVPVSNSZLJIA-FVWCLLPLSA-N" ;
skos:broader csc:CHEMONTID_0002749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "strychnne" ;
skos:prefLabel "strychnine"@nl .
csc:JCXGWMGPZLAOME-YPZZEJLDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335818 ;
dbo:casNumber "13982-38-2" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1-2" ;
dbo:iupacName "bismuth-207"@en ;
dbo:pubchem "6335818"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi207" ;
skos:prefLabel "bismuth 207"@nl .
csc:IBDIPBWIXJRJQM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3057998 ;
dbo:casNumber "82801-81-8" , "74341-78-9" ;
dbo:formula "C12H18ClNO2" ;
dbo:inchi "InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride"@en ;
dbo:pubchem "3057998"^^xsd:int ;
dbo:smiles "CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl" ;
dbp:inchikey "InChIKey=IBDIPBWIXJRJQM-UHFFFAOYSA-N" ;
skos:altLabel "3,4-Methyleendioxyethamfetamine"@nl ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxeaf" ;
skos:prefLabel "3,4-methyleendioxyethamfetamine"@nl .
csc:KBPCCVWUMVGXGF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14069 ;
dbo:casNumber "1072-05-5" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "2,6-DIMETHYLHEPTANE"@en ;
dbo:pubchem "14069"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=KBPCCVWUMVGXGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yC7a" ;
skos:prefLabel "2,6-dimethylheptaan"@nl .
csc:ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6589 ;
dbo:casNumber "79-29-8" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2,3-Dimethylbutane"@en ;
dbo:pubchem "6589"^^xsd:int ;
dbo:smiles "CC(C)C(C)C" ;
dbp:inchikey "InChIKey=ZFFMLCVRJBZUDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yC4a" ;
skos:prefLabel "2,3-dimethylbutaan"@nl .
csc:RAPBNVDSDCTNRC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10522 ;
dbo:casNumber "510-15-6" ;
dbo:formula "C16H14Cl2O3" ;
dbo:inchi "InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3" ;
dbo:iupacName "ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "10522"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=RAPBNVDSDCTNRC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y44DClbzlt" ;
skos:prefLabel "ethyl-4,4'-dichloorbenzilaat"@nl .
csc:KNWODGJQLCISLC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:56207 ;
dbo:casNumber "91296-87-6" , "98105-99-8" ;
dbo:formula "C20H18ClF2N3O3" ;
dbo:inchi "InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H" ;
dbo:iupacName "6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride"@en ;
dbo:pubchem "56207"^^xsd:int ;
dbo:smiles "C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl" ;
dbp:inchikey "InChIKey=KNWODGJQLCISLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sarafloxacine"@nl .
csc:BKAYSPSVVJBHHK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:26450 ;
dbo:casNumber "14088-71-2" ;
dbo:formula "C16H14Cl2O" ;
dbo:inchi "InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2" ;
dbo:iupacName "bis(4-chlorophenyl)-cyclopropylmethanol"@en ;
dbo:pubchem "26450"^^xsd:int ;
dbo:smiles "C1CC1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O" ;
dbp:inchikey "InChIKey=BKAYSPSVVJBHHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proclnl" ;
skos:prefLabel "proclonol"@nl .
csc:JFALSRSLKYAFGM-OIOBTWANSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61784 ;
dbo:casNumber "15117-96-1" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-3" ;
dbo:iupacName "uranium-235"@en ;
dbo:pubchem "61784"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U235" ;
skos:prefLabel "uranium 235"@nl .
csc:OCATYIAKPYKMPG-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24444 ;
dbo:casNumber "7758-01-2" ;
dbo:formula "BrKO3" ;
dbo:inchi "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "POTASSIUM BROMATE"@en ;
dbo:pubchem "24444"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O.[K+]" ;
dbp:inchikey "InChIKey=OCATYIAKPYKMPG-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KBrO3" ;
skos:prefLabel "kaliumbromaat"@nl .
csc:LGZZJTIUEJNNKV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15766 ;
dbo:casNumber "1825-19-0" ;
dbo:formula "C7H3Cl5S" ;
dbo:inchi "InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-methylsulfanylbenzene"@en ;
dbo:pubchem "15766"^^xsd:int ;
dbo:smiles "CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LGZZJTIUEJNNKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCTA" ;
skos:prefLabel "pentachloorthioanisole"@nl .
csc:POULHZVOKOAJMA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3893 ;
dbo:casNumber "8045-27-0" , "143-07-7" , "7632-48-6" , "203714-07-2" , "8000-62-2" ;
dbo:formula "C12H24O2" ;
dbo:inchi "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" ;
dbo:iupacName "Dodecanoic acid"@en ;
dbo:pubchem "3893"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12azr" ;
skos:prefLabel "dodecaanzuur"@nl .
csc:CHEMONTID_0001010
skos:narrower csc:XERJKGMBORTKEO-VZUCSPMQSA-N .
csc:VTYYLEPIZMXCLO-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10112 ;
dbo:casNumber "63660-97-9" , "146358-95-4" , "13397-26-7" , "114453-69-9" , "172307-27-6" , "1317-65-3" , "39454-55-2" , "72608-12-9" , "471-34-1" , "180616-31-3" , "137803-94-2" , "71060-88-3" , "166516-01-4" , "251358-28-8" , "60083-79-6" ;
dbo:formula "CCaO3" ;
dbo:inchi "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" ;
dbo:iupacName "Calcium carbonate"@en ;
dbo:pubchem "10112"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-].[Ca+2]" ;
dbp:inchikey "InChIKey=VTYYLEPIZMXCLO-UHFFFAOYSA-L" ;
skos:altLabel "calciumcarbonaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaCO3" , "calct" ;
skos:prefLabel "calciet"@nl .
csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6950 ;
dbo:casNumber "88-85-7" , "152212-20-9" , "39403-80-0" ;
dbo:formula "C10H12N2O5" ;
dbo:inchi "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3" ;
dbo:iupacName "2-butan-2-yl-4,6-dinitrophenol"@en ;
dbo:pubchem "6950"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=OWZPCEFYPSAJFR-UHFFFAOYSA-N" ;
skos:altLabel "2-sec-butyl-4,6-dinitrofenol"@nl ;
skos:broader csc:CHEMONTID_0004505 ;
skos:exactMatch wise:CAS_88-85-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnsb" ;
skos:prefLabel "dinoseb"@nl ;
vcs:vmmParameterId "761"^^xsd:int .
csc:CHEMONTID_0003862
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003862 ;
skos:definition "Organosulfur compounds containing a thioether group that is substituted by two alkyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QMMFVYPAHWMCMS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003862" ;
skos:prefLabel "Dialkylthioethers"@en .
csc:BAFQDKPJKOLXFZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13708 ;
dbo:casNumber "950-35-6" ;
dbo:formula "C8H10NO6P" ;
dbo:inchi "InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl (4-nitrophenyl) phosphate"@en ;
dbo:pubchem "13708"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=BAFQDKPJKOLXFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroonC1y" ;
skos:prefLabel "paraoxon-methyl"@nl .
csc:AGUIVNYEYSCPNI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10178 ;
dbo:casNumber "479-45-8" ;
dbo:formula "C7H5N5O8" ;
dbo:inchi "InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3" ;
dbo:iupacName "N-methyl-N-(2,4,6-trinitrophenyl)nitramide"@en ;
dbo:pubchem "10178"^^xsd:int ;
dbo:smiles "CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=AGUIVNYEYSCPNI-UHFFFAOYSA-N" ;
skos:altLabel "tetryl (CE)"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tetl" ;
skos:prefLabel "tetryl (ce)"@nl .
csc:CHEMONTID_0002635
skos:narrower csc:PGOOBECODWQEAB-UHFFFAOYSA-N , csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N .
csc:FDTQTOKRWQJRAC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154379 ;
dbo:casNumber "57964-39-3" ;
dbo:formula "C14H14N2" ;
dbo:inchi "InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3" ;
dbo:iupacName "4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile"@en ;
dbo:pubchem "154379"^^xsd:int ;
dbo:smiles "CC(C#N)C1CCC(C2=CC=CC=C12)C#N" ;
dbp:inchikey "InChIKey=FDTQTOKRWQJRAC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CN1234T4HaC" ;
skos:prefLabel "4-cyaan-1,2,3,4-tetrahydro-alfamethyl-1-naftaleenacetonitril"@nl .
csc:CERQOIWHTDAKMF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4093 ;
dbo:casNumber "115708-68-4" , "79-41-4" , "463311-95-7" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" ;
dbo:iupacName "2-methylprop-2-enoic acid"@en ;
dbo:pubchem "4093"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)O" ;
dbp:inchikey "InChIKey=CERQOIWHTDAKMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metaczr" ;
skos:prefLabel "methacrylzuur"@nl .
csc:WWGUMAYGTYQSGA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11386 ;
dbo:casNumber "581-40-8" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3" ;
dbo:iupacName "2,3-Dimethylnaphthalene"@en ;
dbo:pubchem "11386"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C=C1C" ;
dbp:inchikey "InChIKey=WWGUMAYGTYQSGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yNaf" ;
skos:prefLabel "2,3-dimethylnaftaleen"@nl .
csc:BBABSCYTNHOKOG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15767 ;
dbo:casNumber "1825-21-4" ;
dbo:formula "C7H3Cl5O" ;
dbo:inchi "InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-methoxybenzene"@en ;
dbo:pubchem "15767"^^xsd:int ;
dbo:smiles "COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BBABSCYTNHOKOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClansl" ;
skos:prefLabel "pentachlooranisol"@nl .
csc:IOFHZPVEQXTSQW-BXUZGUMPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:162287 ;
dbo:casNumber "38115-21-8" ;
dbo:formula "C15H15N3O5S2" ;
dbo:inchi "InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "162287"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO" ;
dbp:inchikey "InChIKey=IOFHZPVEQXTSQW-BXUZGUMPSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "desacetycefapirine"@nl .
csc:OTVAEFIXJLOWRX-NXEZZACHSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27200 ;
dbo:casNumber "15318-45-3" , "90-91-5" , "32430-04-9" , "3785-14-6" , "14786-51-7" ;
dbo:formula "C12H15Cl2NO5S" ;
dbo:inchi "InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1" ;
dbo:iupacName "2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "27200"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O" ;
dbp:inchikey "InChIKey=OTVAEFIXJLOWRX-NXEZZACHSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "thiamfenicol"@nl .
csc:CHEMONTID_0001551
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001551 ;
skos:definition "Terpene compounds formed by four isoprene units."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001551" ;
skos:prefLabel "Diterpenoids"@en .
csc:WJCNZQLZVWNLKY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5430 ;
dbo:casNumber "145316-67-2" , "94977-06-7" , "8028-27-1" , "123242-33-1" , "98002-42-7" , "8018-04-0" , "148-79-8" , "8027-10-9" ;
dbo:formula "C10H7N3S" ;
dbo:inchi "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" ;
dbo:iupacName "2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE"@en ;
dbo:pubchem "5430"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" ;
dbp:inchikey "InChIKey=WJCNZQLZVWNLKY-UHFFFAOYSA-N" ;
skos:altLabel "thiabendazol"@nl ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tabdzl" ;
skos:prefLabel "thiabendazole"@nl .
csc:CXOYNJAHPUASHN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40477 ;
dbo:casNumber "52663-70-4" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40477"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CXOYNJAHPUASHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB177" ;
skos:prefLabel "2,2',3,3',4,5',6-heptachloorbifenyl"@nl .
csc:LVQDKIWDGQRHTE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47866 ;
dbo:casNumber "66215-27-8" ;
dbo:formula "C6H10N6" ;
dbo:inchi "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" ;
dbo:iupacName "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "47866"^^xsd:int ;
dbo:smiles "C1CC1NC2=NC(=NC(=N2)N)N" ;
dbp:inchikey "InChIKey=LVQDKIWDGQRHTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003080 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyrmzne" ;
skos:prefLabel "cyromazine"@nl .
csc:CHEMONTID_0000324
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000324 ;
skos:definition "Carboxylic ester derivatives of a fatty acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OCWLYWIFNDCWRZ-UHFFFAOYSA-N , csc:OBNCKNCVKJNDBV-UHFFFAOYSA-N , csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N , csc:GLYJVQDYLFAUFC-UHFFFAOYSA-N , csc:GOLXNESZZPUPJE-UHFFFAOYSA-N , csc:WIBFFTLQMKKBLZ-SEYXRHQNSA-N , csc:ZFDIRQKJPRINOQ-HYXAFXHYSA-N , csc:AXISYYRBXTVTFY-UHFFFAOYSA-N , csc:ORFWYUFLWUWSFM-UHFFFAOYSA-N , csc:XUGNVMKQXJXZCD-UHFFFAOYSA-N , csc:DHAZIUXMHRHVMP-UHFFFAOYSA-N , csc:BZNDWPRGXNILMS-CLFYSBASSA-N , csc:TVFJAZCVMOXQRK-UHFFFAOYSA-N , csc:GEPDYQSQVLXLEU-WAYWQWQTSA-N , csc:OJIBJRXMHVZPLV-UHFFFAOYSA-N , csc:SAOKZLXYCUGLFA-UHFFFAOYSA-N , csc:DKMROQRQHGEIOW-UHFFFAOYSA-N , csc:SNXPWYFWAZVIAU-GKFVBPDJSA-N , csc:GEPDYQSQVLXLEU-AATRIKPKSA-N , csc:WSORODGWGUUOBO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000324" ;
skos:prefLabel "Fatty acid esters"@en .
csc:RXPQRKFMDQNODS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10546 ;
dbo:casNumber "513-08-6" ;
dbo:formula "C9H21O4P" ;
dbo:inchi "InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "Tripropyl phosphate"@en ;
dbo:pubchem "10546"^^xsd:int ;
dbo:smiles "CCCOP(=O)(OCCC)OCCC" ;
dbp:inchikey "InChIKey=RXPQRKFMDQNODS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yPO4" ;
skos:prefLabel "tripropylfosfaat"@nl .
csc:KIDHWZJUCRJVML-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1045 ;
dbo:casNumber "1071-98-3" , "110-60-1" ;
dbo:formula "C4H12N2" ;
dbo:inchi "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2" ;
dbo:iupacName "['butane-1,4-diamine', 'but-2-ynedinitrile']"@en ;
dbo:pubchem "1045"^^xsd:int ;
dbo:smiles "C(CCN)CN" ;
dbp:inchikey "InChIKey=KIDHWZJUCRJVML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDAe" ;
skos:prefLabel "1,4-butaandiamine"@nl .
csc:PCHJSUWPFVWCPO-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167085 ;
dbo:casNumber "14391-11-8" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au/i1+2" ;
dbo:iupacName "gold-199"@en ;
dbo:pubchem "167085"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "InChIKey=PCHJSUWPFVWCPO-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au199" ;
skos:prefLabel "goud 199"@nl .
csc:CHEMONTID_0002693
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002693 ;
skos:definition "Compounds containing a triazinane ring, which is a six-membered saturated heterocycle with three nitrogen ring atoms and three ring carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002693" ;
skos:prefLabel "Triazinanes"@en .
csc:NVGOPFQZYCNLDU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33775 ;
dbo:casNumber "27314-13-2" ;
dbo:formula "C12H9ClF3N3O" ;
dbo:inchi "InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3" ;
dbo:iupacName "4-chloro-5-methylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one"@en ;
dbo:pubchem "33775"^^xsd:int ;
dbo:smiles "CNC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=NVGOPFQZYCNLDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfrzn" ;
skos:prefLabel "norflurazon"@nl .
csc:OYEHPCDNVJXUIW-FTXFMUIASA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61782 ;
dbo:casNumber "15117-48-3" , "97918-67-7" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-5" ;
dbo:iupacName "plutonium-239"@en ;
dbo:pubchem "61782"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu239" ;
skos:prefLabel "plutonium 239"@nl .
csc:CHEMONTID_0001466
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001466 ;
skos:definition "Steroids with a structure based on the estrane skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YNVGQYHLRCDXFQ-XGXHKTLJSA-N , csc:RPLCPCMSCLEKRS-BPIQYHPVSA-N , csc:IMSSROKUHAOUJS-MJCUULBUSA-N ;
skos:notation "CHEMONTID:0001466" ;
skos:prefLabel "Estrane steroids"@en .
csc:ZCNQYNHDVRPZIH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93542 ;
dbo:casNumber "117337-19-6" ;
dbo:formula "C15H15ClFN3O3S2" ;
dbo:inchi "InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3" ;
dbo:iupacName "methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate"@en ;
dbo:pubchem "93542"^^xsd:int ;
dbo:smiles "COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl" ;
dbp:inchikey "InChIKey=ZCNQYNHDVRPZIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutcC1y" ;
skos:prefLabel "fluthiacet-methyl"@nl .
csc:STCOOQWBFONSKY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31357 ;
dbo:casNumber "126-73-8" , "19824-61-4" , "80094-39-9" , "15158-85-7" ;
dbo:formula "C12H27O4P" ;
dbo:inchi "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "['tributoxy-hydroxyphosphanium', 'Tributyl phosphate']"@en ;
dbo:pubchem "31357"^^xsd:int ;
dbo:smiles "CCCCOP(=O)(OCCCC)OCCCC" ;
dbp:inchikey "InChIKey=STCOOQWBFONSKY-UHFFFAOYSA-N" ;
skos:altLabel "tri-n-butylfosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:exactMatch wise:CAS_126-73-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yPO4" ;
skos:prefLabel "tributylfosfaat"@nl ;
vcs:vmmParameterId "520"^^xsd:int .
csc:OGBQILNBLMPPDP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42128 ;
dbo:casNumber "57117-31-4" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H" ;
dbo:iupacName "2,3,4,7,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42128"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OGBQILNBLMPPDP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,7,8-pentachloordibenzofuraan (pecdf)"@nl , " 2,3,4,7,8-pentachloordibenzofuraan"@nl , "2,3,4,7,8-pentachloordibenzofuran"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-31-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF114" ;
skos:prefLabel "2,3,4,7,8-pentachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1239"^^xsd:int .
csc:BBEAQIROQSPTKN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31423 ;
dbo:casNumber "76165-23-6" , "129-00-0" ;
dbo:formula "C16H10" ;
dbo:inchi "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H" ;
dbo:iupacName "PYRENE"@en ;
dbo:pubchem "31423"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2" ;
dbp:inchikey "InChIKey=BBEAQIROQSPTKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0001851 ;
skos:exactMatch wise:CAS_129-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pyr" ;
skos:prefLabel "pyreen"@nl ;
vcs:vmmParameterId "1434"^^xsd:int , "434"^^xsd:int .
csc:ATNHDLDRLWWWCB-ZPPYAHEGSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5280772 ;
dbo:casNumber "479-61-8" ;
dbo:formula "C55H72MgN4O5" ;
dbo:inchi "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51?;/m0./s1" ;
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en ;
dbo:pubchem "5280772"^^xsd:int ;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2]" ;
dbp:inchikey "InChIKey=ATNHDLDRLWWWCB-ZPPYAHEGSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHLFa" ;
skos:prefLabel "chlorofyl-a"@nl .
csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7095 ;
dbo:casNumber "56481-93-7" , "72931-46-5" , "81846-81-3" , "92-52-4" , "68409-73-4" ;
dbo:formula "C12H10" ;
dbo:inchi "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "Phenylbenzene"@en ;
dbo:pubchem "7095"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=ZUOUZKKEUPVFJK-UHFFFAOYSA-N" ;
skos:altLabel "bifenyl"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:exactMatch wise:CAS_92-52-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biFy" ;
skos:prefLabel "difenyl"@nl ;
vcs:vmmParameterId "498"^^xsd:int .
csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7705 ;
dbo:casNumber "104-51-8" , "74296-32-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" ;
dbo:iupacName "Butylbenzene"@en ;
dbo:pubchem "7705"^^xsd:int ;
dbo:smiles "CCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=OCKPCBLVNKHBMX-UHFFFAOYSA-N" ;
skos:altLabel "n-butylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_104-51-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBen" ;
skos:prefLabel "butylbenzeen"@nl ;
vcs:vmmParameterId "551"^^xsd:int .
csc:NWIUTZDMDHAVTP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2369 ;
dbo:casNumber "63659-18-7" ;
dbo:formula "C18H29NO3" ;
dbo:inchi "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3" ;
dbo:iupacName "1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "2369"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O" ;
dbp:inchikey "InChIKey=NWIUTZDMDHAVTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "betxll" ;
skos:prefLabel "betaxolol"@nl .
csc:VVAKEQGKZNKUSU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6893 ;
dbo:casNumber "1300-73-8" , "87-59-2" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,3-Dimethylaniline"@en ;
dbo:pubchem "6893"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)N)C" ;
dbp:inchikey "InChIKey=VVAKEQGKZNKUSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23xyldne" ;
skos:prefLabel "2,3-xylidine"@nl .
csc:GKAOGPIIYCISHV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23935 ;
dbo:casNumber "36826-26-3" , "7440-01-9" , "12794-67-1" , "71928-15-9" ;
dbo:formula "Ne" ;
dbo:inchi "InChI=1S/Ne" ;
dbo:iupacName "NEON"@en ;
dbo:pubchem "23935"^^xsd:int ;
dbo:smiles "[Ne]" ;
dbp:inchikey "InChIKey=GKAOGPIIYCISHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ne" ;
skos:prefLabel "neon"@nl .
csc:CHEMONTID_0001530
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001530 ;
skos:definition "Organic compounds containing a benzene bearing a nitrile substituent."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UPMXNNIRAGDFEH-UHFFFAOYSA-N , csc:JFDZBHWFFUWGJE-UHFFFAOYSA-N , csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N , csc:MDQKYGOECVSPIW-UHFFFAOYSA-N , csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001530" ;
skos:prefLabel "Benzonitriles"@en .
csc:KWTSXDURSIMDCE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3007 ;
dbo:casNumber "300-62-9" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" ;
dbo:iupacName "1-phenylpropan-2-amine"@en ;
dbo:pubchem "3007"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)N" ;
dbp:inchikey "InChIKey=KWTSXDURSIMDCE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amfAe" ;
skos:prefLabel "amfetamine"@nl .
csc:LKJPSUCKSLORMF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15629 ;
dbo:casNumber "56449-36-6" , "1746-81-2" ;
dbo:formula "C9H11ClN2O2" ;
dbo:inchi "InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Chlorophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "15629"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC=C(C=C1)Cl)OC" ;
dbp:inchikey "InChIKey=LKJPSUCKSLORMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_1746-81-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mlnrn" ;
skos:prefLabel "monolinuron"@nl ;
vcs:vmmParameterId "278"^^xsd:int .
csc:CHEMONTID_0000303
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000303 ;
skos:definition "Compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QXJKBPAVAHBARF-UHFFFAOYSA-N , csc:FAEKWTJYAYMJKF-QHCPKHFHSA-N , csc:AHOUBRCZNHFOSL-YOEHRIQHSA-N ;
skos:notation "CHEMONTID:0000303" ;
skos:prefLabel "Phenylpiperidines"@en .
csc:ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94382 ;
dbo:casNumber "27541-88-4" ;
dbo:formula "C12H6Cl3NO3" ;
dbo:inchi "InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)" ;
dbo:iupacName "2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide"@en ;
dbo:pubchem "94382"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(Cl)Cl" ;
dbp:inchikey "InChIKey=ZIEWAMOXCOLNSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chinnmd" ;
skos:prefLabel "chinonamid"@nl .
csc:VHVPQPYKVGDNFY-ZPGVKDDISA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:55283 ;
dbo:casNumber "84625-61-6" , "84604-65-9" ;
dbo:formula "C35H38Cl2N8O4" ;
dbo:inchi "InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1" ;
dbo:iupacName "2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "55283"^^xsd:int ;
dbo:smiles "CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl" ;
dbp:inchikey "InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "itraconazol"@nl .
csc:MURWRBWZIMXKGC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66540 ;
dbo:casNumber "84-78-6" ;
dbo:formula "C20H30O4" ;
dbo:inchi "InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3" ;
dbo:iupacName "O2-butyl O1-octyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "66540"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "InChIKey=MURWRBWZIMXKGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4y2C8yBenz" ;
skos:prefLabel "1-butyl 2-octylbenzeen-1,2-dicarboxylaat"@nl .
csc:JWUCHKBSVLQQCO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91727 ;
dbo:casNumber "87676-93-5" , "76674-21-0" ;
dbo:formula "C16H13F2N3O" ;
dbo:inchi "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2" ;
dbo:iupacName "1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol"@en ;
dbo:pubchem "91727"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F" ;
dbp:inchikey "InChIKey=JWUCHKBSVLQQCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluTafl" ;
skos:prefLabel "flutriafol"@nl .
csc:CHEMONTID_0000218
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000218 ;
skos:definition "Compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WNYADZVDBIBLJJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000218" ;
skos:prefLabel "Pyrrolidines"@en .
csc:CSNIZNHTOVFARY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9225 ;
dbo:casNumber "272-16-2" ;
dbo:formula "C7H5NS" ;
dbo:inchi "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H" ;
dbo:iupacName "1,2-benzothiazole"@en ;
dbo:pubchem "9225"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=NS2" ;
dbp:inchikey "InChIKey=CSNIZNHTOVFARY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12Benitazl" ;
skos:prefLabel "1,2-benzisothiazool"@nl .
csc:XMHKTINRBAKEDS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5360423 ;
dbo:casNumber "869-59-0" ;
dbo:formula "C24H51Sn" ;
dbo:inchi "InChI=1S/3C8H17.Sn/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;" ;
dbo:iupacName "Tri-n-octyltin Hydride"@en ;
dbo:pubchem "5360423"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn](CCCCCCCC)CCCCCCCC" ;
dbp:inchikey "InChIKey=XMHKTINRBAKEDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004072 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC8ySn" ;
skos:prefLabel "trioctyltin (kation)"@nl .
csc:ZDPIZLCVJAAHHR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18087 ;
dbo:casNumber "68821-99-8" , "11116-46-4" , "2971-90-6" ;
dbo:formula "C7H7Cl2NO" ;
dbo:inchi "InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)" ;
dbo:iupacName "3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one"@en ;
dbo:pubchem "18087"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)C(=C(N1)C)Cl)Cl" ;
dbp:inchikey "InChIKey=ZDPIZLCVJAAHHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clopdl" ;
skos:prefLabel "clopidol"@nl .
csc:QTXHFDHVLBDJIO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16774 ;
dbo:casNumber "2275-18-5" ;
dbo:formula "C9H20NO3PS2" ;
dbo:inchi "InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)" ;
dbo:iupacName "2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide"@en ;
dbo:pubchem "16774"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCC(=O)NC(C)C" ;
dbp:inchikey "InChIKey=QTXHFDHVLBDJIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protat" ;
skos:prefLabel "prothoaat"@nl .
csc:NDUPDOJHUQKPAG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6418 ;
dbo:casNumber "75-99-0" ;
dbo:formula "C3H4Cl2O2" ;
dbo:inchi "InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)" ;
dbo:iupacName "2,2-Dichloropropanoic acid"@en ;
dbo:pubchem "6418"^^xsd:int ;
dbo:smiles "CC(C(=O)O)(Cl)Cl" ;
dbp:inchikey "InChIKey=NDUPDOJHUQKPAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClppozr" ;
skos:prefLabel "2,2-dichloorpropionzuur"@nl .
csc:GKLVYJBZJHMRIY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23957 ;
dbo:casNumber "7440-26-8" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc" ;
dbo:iupacName "technetium"@en ;
dbo:pubchem "23957"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "InChIKey=GKLVYJBZJHMRIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc" ;
skos:prefLabel "technetium"@nl .
csc:SXDBWCPKPHAZSM-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:84979 ;
dbo:casNumber "15541-45-4" ;
dbo:formula "BrO3-" ;
dbo:inchi "InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1" ;
dbo:iupacName "bromate"@en ;
dbo:pubchem "84979"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O" ;
dbp:inchikey "InChIKey=SXDBWCPKPHAZSM-UHFFFAOYSA-M" ;
skos:exactMatch wise:CAS_15541-45-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrO3" ;
skos:prefLabel "bromaat"@nl ;
vcs:vmmParameterId "1532"^^xsd:int .
csc:VGPYEHKOIGNJKV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18752 ;
dbo:casNumber "3337-71-1" ;
dbo:formula "C8H10N2O4S" ;
dbo:inchi "InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)" ;
dbo:iupacName "methyl N-(4-aminophenyl)sulfonylcarbamate"@en ;
dbo:pubchem "18752"^^xsd:int ;
dbo:smiles "COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=VGPYEHKOIGNJKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aslm" ;
skos:prefLabel "asulam"@nl .
csc:CHEMONTID_0001986
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001986 ;
skos:definition "Carboxylic acids containing exactly three carboxyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DOOTYTYQINUNNV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001986" ;
skos:prefLabel "Tricarboxylic acids and derivatives"@en .
csc:DDVNRFNDOPPVQJ-HQJQHLMTSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:656612 ;
dbo:casNumber "118712-89-3" ;
dbo:formula "C15H12Cl2F4O2" ;
dbo:inchi "InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1" ;
dbo:iupacName "(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "656612"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=DDVNRFNDOPPVQJ-HQJQHLMTSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tftn" ;
skos:prefLabel "transfluthrin"@nl .
csc:NKNFWVNSBIXGLL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86306 ;
dbo:casNumber "110895-43-7" , "112143-82-5" ;
dbo:formula "C13H22N4O3S" ;
dbo:inchi "InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3" ;
dbo:iupacName "ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate"@en ;
dbo:pubchem "86306"^^xsd:int ;
dbo:smiles "CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C" ;
dbp:inchikey "InChIKey=NKNFWVNSBIXGLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazmt" ;
skos:prefLabel "triazamaat"@nl .
csc:PUIYMUZLKQOUOZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36679 ;
dbo:casNumber "34123-59-6" ;
dbo:formula "C12H18N2O" ;
dbo:inchi "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)" ;
dbo:iupacName "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "36679"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" ;
dbp:inchikey "InChIKey=PUIYMUZLKQOUOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_34123-59-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iptrn" ;
skos:prefLabel "isoproturon"@nl ;
vcs:vmmParameterId "274"^^xsd:int .
csc:SUIQUYDRLGGZOL-RCWTXCDDSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033924 ;
dbo:casNumber "100986-85-4" , "138199-71-0" ;
dbo:formula "C36H42F2N6O9" ;
dbo:inchi "InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1" ;
dbo:iupacName "(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate"@en ;
dbo:pubchem "3033924"^^xsd:int ;
dbo:smiles "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O" ;
dbp:inchikey "InChIKey=SUIQUYDRLGGZOL-RCWTXCDDSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levfxcne" ;
skos:prefLabel "levofloxacine"@nl .
csc:CHEMONTID_0002651
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002651 ;
skos:definition "Diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RCFAHSGZAAFQJH-UHFFFAOYSA-N , csc:IUZFQERQUZLNKQ-UHFFFAOYSA-N , csc:BYLSIPUARIZAHZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002651" ;
skos:prefLabel "Linear diarylheptanoids"@en .
csc:FUCYIEXQVQJBKY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10223 ;
dbo:casNumber "483-76-1" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3" ;
dbo:iupacName "4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene"@en ;
dbo:pubchem "10223"^^xsd:int ;
dbo:smiles "CC1=CC2C(CCC(=C2CC1)C)C(C)C" ;
dbp:inchikey "InChIKey=FUCYIEXQVQJBKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dcadnn" ;
skos:prefLabel "(+)-delta-cadineen"@nl .
csc:FHKLOBNGYGFRSF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61432 ;
dbo:casNumber "10022-70-5" ;
dbo:formula "ClH10NaO6" ;
dbo:inchi "InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;" ;
dbo:iupacName "Sodium hypochlorite pentahydrate"@en ;
dbo:pubchem "61432"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-]Cl.[Na+]" ;
dbp:inchikey "InChIKey=FHKLOBNGYGFRSF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaClO5H2O" ;
skos:prefLabel "natriumhypochloriet pentahydraat"@nl .
csc:RUZMUTWCUZLWQU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:117947 ;
dbo:casNumber "1707-71-7" , "27194-63-4" ;
dbo:formula "C4H12O7P2" ;
dbo:inchi "InChI=1S/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)" ;
dbo:iupacName "(ethoxy-hydroxyphosphoryl) ethyl hydrogen phosphate"@en ;
dbo:pubchem "117947"^^xsd:int ;
dbo:smiles "CCOP(=O)(O)OP(=O)(O)OCC" ;
dbp:inchikey "InChIKey=RUZMUTWCUZLWQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001804 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yzrprPO4" ;
skos:prefLabel "diethylzuur pyrofosfaat"@nl .
csc:FOUWCSDKDDHKQP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92425 ;
dbo:casNumber "141490-50-8" , "103361-09-7" ;
dbo:formula "C19H15FN2O4" ;
dbo:inchi "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2" ;
dbo:iupacName "2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "92425"^^xsd:int ;
dbo:smiles "C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F" ;
dbp:inchikey "InChIKey=FOUWCSDKDDHKQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumoxzn" ;
skos:prefLabel "flumioxazin"@nl .
csc:ROVGZAWFACYCSP-VUMXUWRFSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281045 ;
dbo:casNumber "121-21-1" ;
dbo:formula "C21H28O3" ;
dbo:inchi "InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1" ;
dbo:iupacName "[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "5281045"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C" ;
dbp:inchikey "InChIKey=ROVGZAWFACYCSP-VUMXUWRFSA-N" ;
skos:altLabel "pyrethrin i"@nl ;
skos:broader csc:CHEMONTID_0001724 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtnI" ;
skos:prefLabel "pyrethrin I"@nl .
csc:CHEMONTID_0002566
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002566 ;
skos:definition "Aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:AWJUIBRHMBBTKR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002566" ;
skos:prefLabel "Isoquinolines and derivatives"@en .
csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73665 ;
dbo:casNumber "67747-09-5" , "68444-81-5" ;
dbo:formula "C15H16Cl3N3O2" ;
dbo:inchi "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3" ;
dbo:iupacName "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide"@en ;
dbo:pubchem "73665"^^xsd:int ;
dbo:smiles "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2" ;
dbp:inchikey "InChIKey=TVLSRXXIMLFWEO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:exactMatch wise:CAS_67747-09-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proClaz" ;
skos:prefLabel "prochloraz"@nl ;
vcs:vmmParameterId "1472"^^xsd:int .
csc:PRGQOPPDPVELEG-KBPBESRZSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:114725 ;
dbo:casNumber "58955-93-4" ;
dbo:formula "C15H14N2O3" ;
dbo:inchi "InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1" ;
dbo:iupacName "(5S,6S)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "114725"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O" ;
dbp:inchikey "InChIKey=PRGQOPPDPVELEG-KBPBESRZSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t1011DHOx101" ;
skos:prefLabel "trans-10,11-dihydroxy-10,11-dihydrocarbazepine"@nl .
csc:MGFYIUFZLHCRTH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8758 ;
dbo:casNumber "26627-44-1" , "80751-51-5" , "139-13-9" , "49784-42-1" , "26627-45-2" ;
dbo:formula "C6H9NO6" ;
dbo:inchi "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)" ;
dbo:iupacName "2-(bis(carboxymethyl)amino)acetic acid"@en ;
dbo:pubchem "8758"^^xsd:int ;
dbo:smiles "C(C(=O)O)N(CC(=O)O)CC(=O)O" ;
dbp:inchikey "InChIKey=MGFYIUFZLHCRTH-UHFFFAOYSA-N" ;
skos:altLabel "nitrilotriazijnzuur (nta)"@nl ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NTA" ;
skos:prefLabel "nitrilotriazijnzuur (NTA)"@nl .
csc:DPSPPJIUMHPXMA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3374 ;
dbo:casNumber "42835-25-6" , "143984-63-8" ;
dbo:formula "C14H12FNO3" ;
dbo:inchi "InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)" ;
dbo:iupacName "7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid"@en ;
dbo:pubchem "3374"^^xsd:int ;
dbo:smiles "CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O" ;
dbp:inchikey "InChIKey=DPSPPJIUMHPXMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumqne" ;
skos:prefLabel "flumequine"@nl .
csc:YKYONYBAUNKHLG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7997 ;
dbo:casNumber "109-60-4" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3" ;
dbo:iupacName "Propyl acetate"@en ;
dbo:pubchem "7997"^^xsd:int ;
dbo:smiles "CCCOC(=O)C" ;
dbp:inchikey "InChIKey=YKYONYBAUNKHLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yactt" ;
skos:prefLabel "propylacetaat"@nl .
csc:GGBZCCPSKRKGQB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:168654 ;
dbo:casNumber "27083-27-8" ;
dbo:formula "C16H35ClN10" ;
dbo:inchi "InChI=1S/C10H18N8.C6H16N2.ClH/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12;7-5-3-1-2-4-6-8;/h1-6H2,(H3,13,15,17)(H3,14,16,18);1-8H2;1H" ;
dbo:iupacName "2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine; hexane-1,6-diamine; hydrochloride"@en ;
dbo:pubchem "168654"^^xsd:int ;
dbo:smiles "C(CCCN)CCN.C(CCCN=C(N)NC#N)CCN=C(N)NC#N.Cl" ;
dbp:inchikey "InChIKey=GGBZCCPSKRKGQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PHMBHCl" ;
skos:prefLabel "polyhexamethyleenbiguanide hydrochloride"@nl .
csc:YJVXQQKAUCYQIP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:350151 ;
dbo:casNumber "4271-09-4" ;
dbo:formula "C14H8N2S2" ;
dbo:inchi "InChI=1S/C14H8N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8H" ;
dbo:iupacName "2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole"@en ;
dbo:pubchem "350151"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3" ;
dbp:inchikey "InChIKey=YJVXQQKAUCYQIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22bibenztazl" ;
skos:prefLabel "2,2'-bibenzothiazool"@nl .
csc:GHMLBKRAJCXXBS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5054 ;
dbo:casNumber "26982-54-7" , "108-46-3" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" ;
dbo:iupacName "benzene-1,3-diol"@en ;
dbo:pubchem "5054"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)O)O" ;
dbp:inchikey "InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DHOxBen" ;
skos:prefLabel "1,3-dihydroxybenzeen"@nl .
csc:DNNSSWSSYDEUBZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5416 ;
dbo:casNumber "50938-65-3" , "7439-90-9" ;
dbo:formula "Kr" ;
dbo:inchi "InChI=1S/Kr" ;
dbo:iupacName "KRYPTON"@en ;
dbo:pubchem "5416"^^xsd:int ;
dbo:smiles "[Kr]" ;
dbp:inchikey "InChIKey=DNNSSWSSYDEUBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Kr" ;
skos:prefLabel "krypton"@nl .
csc:FBOFHVFMPNNIKN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15591 ;
dbo:casNumber "1721-89-7" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3" ;
dbo:iupacName "2,3-DIMETHYLQUINOLINE"@en ;
dbo:pubchem "15591"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2N=C1C" ;
dbp:inchikey "InChIKey=FBOFHVFMPNNIKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yqnlne" ;
skos:prefLabel "2,3-dimethylquinoline"@nl .
csc:YADOEPHJIBKBCN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:101068 ;
dbo:casNumber "59483-54-4" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2" ;
dbo:iupacName "3-Chloro-2-nitroaniline"@en ;
dbo:pubchem "101068"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=YADOEPHJIBKBCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl2NO2An" ;
skos:prefLabel "3-chloor-2-nitroaniline"@nl .
csc:CHEMONTID_0001403
skos:narrower csc:SGNBVLSWZMBQTH-UHFFFAOYSA-N , csc:PUGBZUWUTZUUCP-UHFFFAOYSA-N , csc:OILXMJHPFNGGTO-BQYQJAHWSA-N .
csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:11597 ;
dbo:casNumber "68526-99-8" , "68783-15-3" , "33004-04-5" , "592-41-6" , "153522-12-4" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3" ;
dbo:iupacName "hex-1-ene"@en ;
dbo:pubchem "11597"^^xsd:int ;
dbo:smiles "CCCCC=C" ;
dbp:inchikey "InChIKey=LIKMAJRDDDTEIG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_005 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "1-hexeen"@nl .
csc:IVENSCMCQBJAKW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13878 ;
dbo:casNumber "1007-28-9" ;
dbo:formula "C5H8ClN5" ;
dbo:inchi "InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)" ;
dbo:iupacName "6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13878"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "InChIKey=IVENSCMCQBJAKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_1007-28-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desiC3yatzne" ;
skos:prefLabel "desisopropylatrazine"@nl ;
vcs:vmmParameterId "272"^^xsd:int .
csc:QTYCMDBMOLSEAM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86211 ;
dbo:casNumber "125225-28-7" ;
dbo:formula "C18H24ClN3O" ;
dbo:inchi "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3" ;
dbo:iupacName "2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "86211"^^xsd:int ;
dbo:smiles "CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=QTYCMDBMOLSEAM-UHFFFAOYSA-N" ;
skos:altLabel "ipconazool"@nl ;
skos:broader csc:CHEMONTID_0001565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipcnzl" ;
skos:prefLabel "ipconazole"@nl .
csc:KQRJATLINVYHEZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29574 ;
dbo:casNumber "19406-51-0" ;
dbo:formula "C7H7N3O4" ;
dbo:inchi "InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3" ;
dbo:iupacName "4-methyl-3,5-dinitroaniline"@en ;
dbo:pubchem "29574"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=KQRJATLINVYHEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Ao26DNO2Tol" ;
skos:prefLabel "4-amino-2,6-dinitrotolueen"@nl .
csc:GMMKZUPOLVXWFF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:120028 ;
dbo:casNumber "28712-62-1" ;
dbo:formula "C10H13N" ;
dbo:inchi "InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3" ;
dbo:iupacName "3-methyl-5,6,7,8-tetrahydroquinoline"@en ;
dbo:pubchem "120028"^^xsd:int ;
dbo:smiles "CC1=CC2=C(CCCC2)N=C1" ;
dbp:inchikey "InChIKey=GMMKZUPOLVXWFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001715 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5678T4H3C1yq" ;
skos:prefLabel "5,6,7,8-tetrahydro-3-methylquinoline"@nl .
csc:TVDSBUOJIPERQY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7859 ;
dbo:casNumber "107-19-7" ;
dbo:formula "C3H4O" ;
dbo:inchi "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2" ;
dbo:iupacName "Prop-2-yn-1-ol"@en ;
dbo:pubchem "7859"^^xsd:int ;
dbo:smiles "C#CCO" ;
dbp:inchikey "InChIKey=TVDSBUOJIPERQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004478 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propgachl" ;
skos:prefLabel "propargylalcohol"@nl .
csc:DYDNPESBYVVLBO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7671 ;
dbo:casNumber "103-70-8" ;
dbo:formula "C7H7NO" ;
dbo:inchi "InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)" ;
dbo:iupacName "N-Phenylformamide"@en ;
dbo:pubchem "7671"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC=O" ;
dbp:inchikey "InChIKey=DYDNPESBYVVLBO-UHFFFAOYSA-N" ;
skos:altLabel "N-fenylformamide"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NFYfAd" ;
skos:prefLabel "n-fenylformamide"@nl .
csc:FMWLUWPQPKEARP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6359 ;
dbo:casNumber "75-27-4" ;
dbo:formula "CHBrCl2" ;
dbo:inchi "InChI=1S/CHBrCl2/c2-1(3)4/h1H" ;
dbo:iupacName "bromo-dichloromethane"@en ;
dbo:pubchem "6359"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)Br" ;
dbp:inchikey "InChIKey=FMWLUWPQPKEARP-UHFFFAOYSA-N" ;
skos:altLabel "broomdichloormethaan"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_75-27-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClBrC1a" ;
skos:prefLabel "dichloorbroommethaan"@nl ;
vcs:vmmParameterId "369"^^xsd:int .
csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6899 ;
dbo:casNumber "87-65-0" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H" ;
dbo:iupacName "2,6-Dichlorophenol"@en ;
dbo:pubchem "6899"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)O)Cl" ;
dbp:inchikey "InChIKey=HOLHYSJJBXSLMV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_87-65-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClFol" ;
skos:prefLabel "2,6-dichloorfenol"@nl ;
vcs:vmmParameterId "347"^^xsd:int .
csc:FSVJFNAIGNNGKK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4891 ;
dbo:casNumber "57452-31-0" , "55268-74-1" , "135526-78-2" ;
dbo:formula "C19H24N2O2" ;
dbo:inchi "InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2" ;
dbo:iupacName "2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one"@en ;
dbo:pubchem "4891"^^xsd:int ;
dbo:smiles "C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2" ;
dbp:inchikey "InChIKey=FSVJFNAIGNNGKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002955 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prazqtl" ;
skos:prefLabel "praziquantel"@nl .
csc:ONCZDRURRATYFI-QTCHDTBASA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9578570 ;
dbo:casNumber "221007-60-9" , "141517-21-7" ;
dbo:formula "C20H19F3N2O4" ;
dbo:inchi "InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18-" ;
dbo:iupacName "['methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate', 'methyl 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate']"@en ;
dbo:pubchem "9578570"^^xsd:int ;
dbo:smiles "CC(=NOCC1=CC=CC=C1C(=NOC)C(=O)OC)C2=CC(=CC=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=ONCZDRURRATYFI-QTCHDTBASA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfxsbn" ;
skos:prefLabel "trifloxystrobin"@nl .
csc:WABPQHHGFIMREM-AKLPVKDBSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328175 ;
dbo:casNumber "14255-04-0" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+3" ;
dbo:iupacName "lead-210"@en ;
dbo:pubchem "6328175"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "InChIKey=WABPQHHGFIMREM-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb210" ;
skos:prefLabel "lood 210"@nl .
csc:UOORRWUZONOOLO-OWOJBTEDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24726 ;
dbo:casNumber "8022-76-2" , "68525-58-6" , "6923-20-2" , "10061-02-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+" ;
dbo:iupacName "['(E)-1,3-dichloroprop-1-ene', '1,3-dichloroprop-1-ene']"@en ;
dbo:pubchem "24726"^^xsd:int ;
dbo:smiles "C(C=CCl)Cl" ;
dbp:inchikey "InChIKey=UOORRWUZONOOLO-OWOJBTEDSA-N" ;
skos:altLabel "trans-1,3-dichloorpropeen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_10061-02-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t13DClC3e" , "c12DClC3e" ;
skos:prefLabel "cis-1,2-dichloorpropeen"@nl ;
vcs:vmmParameterId "327"^^xsd:int .
csc:OKOCIUJVPQKDLL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:118691 ;
dbo:casNumber "34455-29-3" ;
dbo:formula "C15H19F13N2O4S" ;
dbo:inchi "InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3" ;
dbo:iupacName "2-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]acetate"@en ;
dbo:pubchem "118691"^^xsd:int ;
dbo:smiles "C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]" ;
dbp:inchikey "InChIKey=OKOCIUJVPQKDLL-UHFFFAOYSA-N" ;
skos:altLabel "n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide"@nl ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide"@nl .
csc:CHEMONTID_0001461
skos:narrower csc:YXWCBRDRVXHABN-JCMHNJIXSA-N , csc:QQODLKZGRKWIFG-UHFFFAOYSA-N , csc:FJDPATXIBIBRIM-UHFFFAOYSA-N , csc:YLFSVIMMRPNPFK-VAWYXSNFSA-N , csc:RLLPVAHGXHCWKJ-HKUYNNGSSA-N , csc:ZCVAOQKBXKSDMS-UHFFFAOYSA-N , csc:KAATUXNTWXVJKI-UHFFFAOYSA-N , csc:OWZREIFADZCYQD-DXCJPMOASA-N , csc:SMKRKQBMYOFFMU-DRXWIORDSA-N , csc:GBIHOLCMZGAKNG-UHFFFAOYSA-N , csc:ZXQYGBMAQZUVMI-QQDHXZELSA-N , csc:OWZREIFADZCYQD-NSHGMRRFSA-N , csc:ZXQYGBMAQZUVMI-UNOMPAQXSA-N , csc:NYPJDWWKZLNGGM-BJKOFHAPSA-N , csc:KAATUXNTWXVJKI-DXCJPMOASA-N , csc:SBNFWQZLDJGRLK-UHFFFAOYSA-N , csc:RLLPVAHGXHCWKJ-MJGOQNOKSA-N , csc:NYPJDWWKZLNGGM-UHFFFAOYSA-N .
csc:CHEMONTID_0004209
skos:narrower csc:YUAUPYJCVKNAEC-UHFFFAOYSA-N , csc:VXSNJXDZTGFDMB-UHFFFAOYSA-N , csc:UFFBMTHBGFGIHF-UHFFFAOYSA-N , csc:QXAITBQSYVNQDR-UHFFFAOYSA-N , csc:NTUBJKOTTSFEEV-UHFFFAOYSA-N , csc:NNJVILVZKWQKPM-UHFFFAOYSA-N , csc:MKARNSWMMBGSHX-UHFFFAOYSA-N , csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N , csc:CZZZABOKJQXEBO-UHFFFAOYSA-N .
csc:ZKRSTHSWOFIHMZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3036943 ;
dbo:casNumber "28680-44-6" ;
dbo:formula "C7H2Cl6" ;
dbo:inchi "InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2" ;
dbo:iupacName "1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene"@en ;
dbo:pubchem "3036943"^^xsd:int ;
dbo:smiles "C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZKRSTHSWOFIHMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClbcc22125" ;
skos:prefLabel "hexachloor-biclyclo(2,2,1)-2,5-heptadieen"@nl .
csc:UZVHFVZFNXBMQJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2481 ;
dbo:casNumber "77-26-9" ;
dbo:formula "C11H16N2O3" ;
dbo:inchi "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2481"^^xsd:int ;
dbo:smiles "CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C" ;
dbp:inchikey "InChIKey=UZVHFVZFNXBMQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butbtl" ;
skos:prefLabel "butalbital"@nl .
csc:QGHREAKMXXNCOA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3085 ;
dbo:casNumber "50814-12-5" , "23564-05-8" ;
dbo:formula "C12H14N4O4S2" ;
dbo:inchi "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)" ;
dbo:iupacName "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate"@en ;
dbo:pubchem "3085"^^xsd:int ;
dbo:smiles "COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S" ;
dbp:inchikey "InChIKey=QGHREAKMXXNCOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnC1y" ;
skos:prefLabel "thiofanaat-methyl"@nl .
csc:CHEMONTID_0001859
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001859 ;
skos:definition "Compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RAPZEAPATHNIPO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001859" ;
skos:prefLabel "Pyridopyrimidines"@en .
csc:TUAHORSUHVUKBD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9136 ;
dbo:casNumber "195-19-7" ;
dbo:formula "C18H12" ;
dbo:inchi "InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H" ;
dbo:iupacName "Benzo[c]phenanthrene"@en ;
dbo:pubchem "9136"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3" ;
dbp:inchikey "InChIKey=TUAHORSUHVUKBD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BcFen" ;
skos:prefLabel "benzo(c)fenantreen"@nl .
csc:WOZQBERUBLYCEG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15969 ;
dbo:casNumber "1918-18-9" ;
dbo:formula "C8H7Cl2NO2" ;
dbo:inchi "InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)" ;
dbo:iupacName "Methyl N-(3,4-dichlorophenyl)carbamate"@en ;
dbo:pubchem "15969"^^xsd:int ;
dbo:smiles "COC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=WOZQBERUBLYCEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "swep" ;
skos:prefLabel "swep"@nl .
csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:638072 ;
dbo:casNumber "7683-64-9" , "111-02-4" , "94016-35-0" ;
dbo:formula "C30H50" ;
dbo:inchi "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+" ;
dbo:iupacName "['2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene']"@en ;
dbo:pubchem "638072"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C" ;
dbp:inchikey "InChIKey=YYGNTYWPHWGJRM-AAJYLUCBSA-N" ;
skos:broader csc:CHEMONTID_0001553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "squaln" ;
skos:prefLabel "squaleen"@nl .
csc:SUPCQIBBMFXVTL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7343 ;
dbo:casNumber "97-63-2" , "187170-02-1" , "128440-92-6" , "61584-93-8" , "137431-11-9" , "179799-95-2" , "133775-64-1" , "9003-42-3" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3" ;
dbo:iupacName "ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7343"^^xsd:int ;
dbo:smiles "CCOC(=O)C(=C)C" ;
dbp:inchikey "InChIKey=SUPCQIBBMFXVTL-UHFFFAOYSA-N" ;
skos:altLabel "ethylmetacrylaat"@nl ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ymtclt" ;
skos:prefLabel "ethylmethacrylaat"@nl .
csc:SIDINRCMMRKXGQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77222 ;
dbo:casNumber "2058-94-8" ;
dbo:formula "C11HF21O2" ;
dbo:inchi "InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid"@en ;
dbo:pubchem "77222"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=SIDINRCMMRKXGQ-UHFFFAOYSA-N" ;
skos:altLabel "perfluorundecaanzuur"@nl , "perfluorundecaanzuur (pfunda)"@nl , "perfluor-n-undecaanzuur (pfunda)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFUdA" ;
skos:prefLabel "perfluor-n-undecaanzuur"@nl .
csc:KFAKZJUYBOYVKA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29572 ;
dbo:casNumber "19398-61-9" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,4-dichloro-2-methylbenzene"@en ;
dbo:pubchem "29572"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=KFAKZJUYBOYVKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClTol" ;
skos:prefLabel "2,5-dichloortolueen"@nl .
csc:XNWFRZJHXBZDAG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8019 ;
dbo:casNumber "193008-24-1" , "72664-19-8" , "189209-93-6" , "138753-86-3" , "207799-14-2" , "102868-77-9" , "134919-42-9" , "163733-28-6" , "57244-93-6" , "158360-78-2" , "86002-19-9" , "212969-32-9" , "54386-07-1" , "69592-91-2" , "142172-77-8" , "163294-10-8" , "104841-59-0" , "166441-82-3" , "195970-98-0" , "64543-87-9" , "9004-74-4" , "165338-17-0" , "109-86-4" , "146162-92-7" , "154701-70-9" , "91826-72-1" , "95507-78-1" , "126966-17-4" , "95507-80-5" , "12623-96-0" , "77102-87-5" , "187523-66-6" , "41396-14-9" , "185250-24-2" , "154885-26-4" , "162582-19-6" , "178613-33-7" , "216693-45-7" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" ;
dbo:iupacName "2-Methoxyethanol"@en ;
dbo:pubchem "8019"^^xsd:int ;
dbo:smiles "COCCO" ;
dbp:inchikey "InChIKey=XNWFRZJHXBZDAG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_003 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxC2ol" ;
skos:prefLabel "2-methoxyethanol"@nl .
csc:CHEMONTID_0000292
skos:narrower csc:UZVHFVZFNXBMQJ-UHFFFAOYSA-N , csc:KQPKPCNLIDLUMF-UHFFFAOYSA-N , csc:FTOAOBMCPZCFFF-UHFFFAOYSA-N , csc:DDBREPKUVSBGFI-UHFFFAOYSA-N .
csc:CHEMONTID_0001923
skos:narrower csc:KIWUVOGUEXMXSV-UHFFFAOYSA-N .
csc:WPYCRFCQABTEKC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7586 ;
dbo:casNumber "168331-52-0" , "101-90-6" ;
dbo:formula "C12H14O4" ;
dbo:inchi "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2" ;
dbo:iupacName "2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane"@en ;
dbo:pubchem "7586"^^xsd:int ;
dbo:smiles "C1C(O1)COC2=CC(=CC=C2)OCC3CO3" ;
dbp:inchikey "InChIKey=WPYCRFCQABTEKC-UHFFFAOYSA-N" ;
skos:altLabel "diglycidyl resorcinol ether (DGRE)"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DGRE" ;
skos:prefLabel "diglycidyl resorcinol ether (dgre)"@nl .
csc:SIGSPDASOTUPFS-KQMXEUTGSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43249 ;
dbo:casNumber "60282-87-3" ;
dbo:formula "C21H26O2" ;
dbo:inchi "InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1" ;
dbo:iupacName "(17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "43249"^^xsd:int ;
dbo:smiles "CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "InChIKey=SIGSPDASOTUPFS-KQMXEUTGSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gesdn" ;
skos:prefLabel "gestodeen"@nl .
csc:QCWXUUIWCKQGHC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23995 ;
dbo:casNumber "141631-77-8" , "7440-67-7" , "141631-75-6" , "182260-46-4" , "141631-74-5" ;
dbo:formula "Zr" ;
dbo:inchi "InChI=1S/Zr" ;
dbo:iupacName "ZIRCONIUM"@en ;
dbo:pubchem "23995"^^xsd:int ;
dbo:smiles "[Zr]" ;
dbp:inchikey "InChIKey=QCWXUUIWCKQGHC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_I_B.1 , co:WAC_III_B_010 ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zr" ;
skos:prefLabel "zirkonium"@nl .
csc:RFHAOTPXVQNOHP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3365 ;
dbo:casNumber "86386-73-4" ;
dbo:formula "C13H12F2N6O" ;
dbo:inchi "InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2" ;
dbo:iupacName "2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol"@en ;
dbo:pubchem "3365"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O" ;
dbp:inchikey "InChIKey=RFHAOTPXVQNOHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucnzl" ;
skos:prefLabel "fluconazol"@nl .
csc:TUNFSRHWOTWDNC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11005 ;
dbo:casNumber "45184-05-2" , "544-63-8" , "32112-52-0" ;
dbo:formula "C14H28O2" ;
dbo:inchi "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" ;
dbo:iupacName "Tetradecanoic acid"@en ;
dbo:pubchem "11005"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=TUNFSRHWOTWDNC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14azr" ;
skos:prefLabel "tetradecaanzuur"@nl .
csc:MUJOIMFVNIBMKC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86398 ;
dbo:casNumber "131341-86-1" ;
dbo:formula "C12H6F2N2O2" ;
dbo:inchi "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H" ;
dbo:iupacName "4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile"@en ;
dbo:pubchem "86398"^^xsd:int ;
dbo:smiles "C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N" ;
dbp:inchikey "InChIKey=MUJOIMFVNIBMKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fludoxnl" ;
skos:prefLabel "fludioxonil"@nl .
csc:OJIBJRXMHVZPLV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:66967 ;
dbo:casNumber "110-34-9" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl hexadecanoate"@en ;
dbo:pubchem "66967"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OCC(C)C" ;
dbp:inchikey "InChIKey=OJIBJRXMHVZPLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC3yC16ao" ;
skos:prefLabel "2-methylpropylhexadecanoaat"@nl .
csc:QZZGJDVWLFXDLK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11197 ;
dbo:casNumber "557-59-5" ;
dbo:formula "C24H48O2" ;
dbo:inchi "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)" ;
dbo:iupacName "Tetracosanoic acid"@en ;
dbo:pubchem "11197"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=QZZGJDVWLFXDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C24azr" ;
skos:prefLabel "tetracosaanzuur"@nl .
csc:KPHWPUGNDIVLNH-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27194 ;
dbo:casNumber "15307-79-6" ;
dbo:formula "C14H10Cl2NNaO2" ;
dbo:inchi "InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1" ;
dbo:iupacName "sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate"@en ;
dbo:pubchem "27194"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]" ;
dbp:inchikey "InChIKey=KPHWPUGNDIVLNH-UHFFFAOYSA-M" ;
skos:exactMatch wise:CAS_15307-79-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "diclofenac, natrium"@nl ;
vcs:vmmParameterId "1530"^^xsd:int .
csc:KXGYBSNVFXBPNO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23715 ;
dbo:casNumber "7287-36-7" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)" ;
dbo:iupacName "N-(4-Chlorophenyl)-2,2-dimethylpentanamide"@en ;
dbo:pubchem "23715"^^xsd:int ;
dbo:smiles "CCCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=KXGYBSNVFXBPNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monlde" ;
skos:prefLabel "monalide"@nl .
csc:CHEMONTID_0000128
skos:narrower csc:KQTVWCSONPJJPE-UHFFFAOYSA-N , csc:CTTHWASMBLQOFR-UHFFFAOYSA-N .
csc:CHEMONTID_0003098
skos:narrower csc:KLOZZZNFJYMTNE-UHFFFAOYSA-N , csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N , csc:AVRQBXVUUXHRMY-UHFFFAOYSA-N .
csc:IIACRCGMVDHOTQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5987 ;
dbo:casNumber "5329-14-6" ;
dbo:formula "H3NO3S" ;
dbo:inchi "InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)" ;
dbo:iupacName "Sulfamic acid"@en ;
dbo:pubchem "5987"^^xsd:int ;
dbo:smiles "NS(=O)(=O)O" ;
dbp:inchikey "InChIKey=IIACRCGMVDHOTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfAezr" ;
skos:prefLabel "sulfaminezuur"@nl .
csc:CHEMONTID_0002497
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002497 ;
skos:definition "Compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BHNHHSOHWZKFOX-UHFFFAOYSA-N , csc:MLPOSYHILZVCJH-UHFFFAOYSA-N , csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N , csc:SIKJAQJRHWYJAI-UHFFFAOYSA-N , csc:PZOUSPYUWWUPPK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002497" ;
skos:prefLabel "Indoles"@en .
csc:ZHTROMYSDSTCCE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:137818 ;
dbo:casNumber "3075-84-1" ;
dbo:formula "C16H18" ;
dbo:inchi "InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3" ;
dbo:iupacName "2-(2,5-dimethylphenyl)-1,4-dimethylbenzene"@en ;
dbo:pubchem "137818"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C" ;
dbp:inchikey "InChIKey=ZHTROMYSDSTCCE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2255T4C1y11b" ;
skos:prefLabel "2,2',5,5'-tetramethyl-1,1'-bifenyl"@nl .
csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5359327 ;
dbo:casNumber "7440-24-6" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr" ;
dbo:iupacName "STRONTIUM"@en ;
dbo:pubchem "5359327"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "InChIKey=CIOAGBVUUVVLOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-24-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr" ;
skos:prefLabel "strontium"@nl ;
vcs:vmmParameterId "186"^^xsd:int , "185"^^xsd:int , "1970"^^xsd:int , "187"^^xsd:int .
csc:UCVPKAZCQPRWAY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:220773 ;
dbo:casNumber "523-31-9" ;
dbo:formula "C22H18O4" ;
dbo:inchi "InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2" ;
dbo:iupacName "bis(phenylmethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "220773"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=UCVPKAZCQPRWAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DbzFt" ;
skos:prefLabel "dibenzylftalaat"@nl .
csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6579 ;
dbo:casNumber "79-06-1" , "9003-05-8" ;
dbo:formula "C3H5NO" ;
dbo:inchi "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)" ;
dbo:iupacName "prop-2-enamide"@en ;
dbo:pubchem "6579"^^xsd:int ;
dbo:smiles "C=CC(=O)N" ;
dbp:inchikey "InChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:exactMatch wise:CAS_79-06-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acAd" ;
skos:prefLabel "acrylamide"@nl ;
vcs:vmmParameterId "1531"^^xsd:int .
csc:DMLAVOWQYNRWNQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2272 ;
dbo:casNumber "1080-16-6" , "103-33-3" , "17082-12-1" ;
dbo:formula "C12H10N2" ;
dbo:inchi "InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "di(phenyl)diazene"@en ;
dbo:pubchem "2272"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DMLAVOWQYNRWNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azBen" ;
skos:prefLabel "azobenzeen"@nl .
csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6894 ;
dbo:casNumber "87-60-5" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "3-Chloro-2-methylaniline"@en ;
dbo:pubchem "6894"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)N" ;
dbp:inchikey "InChIKey=ZUVPLKVDZNDZCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:exactMatch wise:CAS_87-60-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl2C1yAn" ;
skos:prefLabel "3-chloor-2-methylaniline"@nl ;
vcs:vmmParameterId "768"^^xsd:int .
csc:XKJCHHZQLQNZHY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6809 ;
dbo:casNumber "85-41-6" ;
dbo:formula "C8H5NO2" ;
dbo:inchi "InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)" ;
dbo:iupacName "Isoindole-1,3-dione"@en ;
dbo:pubchem "6809"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NC2=O" ;
dbp:inchikey "InChIKey=XKJCHHZQLQNZHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ftalmde" ;
skos:prefLabel "ftalimide"@nl .
csc:CHEMONTID_0000186
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000186 ;
skos:definition "Compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BHHGXPLMPWCGHP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000186" ;
skos:prefLabel "Phenethylamines"@en .
csc:YLYBTZIQSIBWLI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8164 ;
dbo:casNumber "112-14-1" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3" ;
dbo:iupacName "Octyl acetate"@en ;
dbo:pubchem "8164"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C" ;
dbp:inchikey "InChIKey=YLYBTZIQSIBWLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8yactt" ;
skos:prefLabel "octylacetaat"@nl .
csc:ACWBQPMHZXGDFX-QFIPXVFZSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:60846 ;
dbo:casNumber "137862-53-4" ;
dbo:formula "C24H29N5O3" ;
dbo:inchi "InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1" ;
dbo:iupacName "(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid"@en ;
dbo:pubchem "60846"^^xsd:int ;
dbo:smiles "CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=ACWBQPMHZXGDFX-QFIPXVFZSA-N" ;
skos:broader csc:CHEMONTID_0004310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valstan" ;
skos:prefLabel "valsartan"@nl .
csc:CHEMONTID_0004787
skos:narrower csc:GTCAXTIRRLKXRU-UHFFFAOYSA-N .
csc:WBPYTXDJUQJLPQ-VMXQISHHSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5280440 ;
dbo:casNumber "1401-69-0" ;
dbo:formula "C46H77NO17" ;
dbo:inchi "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1" ;
dbo:iupacName "2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "5280440"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC" ;
dbp:inchikey "InChIKey=WBPYTXDJUQJLPQ-VMXQISHHSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tylsne" ;
skos:prefLabel "tylosine"@nl .
csc:CHEMONTID_0004310
skos:narrower csc:ACWBQPMHZXGDFX-QFIPXVFZSA-N .
csc:CHEMONTID_0001334
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001334 ;
skos:definition "Aliphatic alcohols consisting of a chain of a least six carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LQZZUXJYWNFBMV-UHFFFAOYSA-N , csc:KBPLFHHGFOOTCA-UHFFFAOYSA-N , csc:RWLALWYNXFYRGW-UHFFFAOYSA-N , csc:ZWRUINPWMLAQRD-UHFFFAOYSA-N , csc:YIWUKEYIRIRTPP-UHFFFAOYSA-N , csc:YLQLIQIAXYRMDL-UHFFFAOYSA-N , csc:MWKFXSUHUHTGQN-UHFFFAOYSA-N , csc:CUUQUEAUUPYEKK-UHFFFAOYSA-N , csc:FPCCDPXRNNVUOM-UHFFFAOYSA-N , csc:SJWFXCIHNDVPSH-UHFFFAOYSA-N , csc:CSWBSLXBXRFNST-MQQKCMAXSA-N , csc:ZSIAUFGUXNUGDI-UHFFFAOYSA-N , csc:BODRLKRKPXBDBN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001334" ;
skos:prefLabel "Fatty alcohols"@en .
csc:FFGPTBGBLSHEPO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2554 ;
dbo:casNumber "298-46-4" ;
dbo:formula "C15H12N2O" ;
dbo:inchi "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)" ;
dbo:iupacName "benzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "2554"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N" ;
dbp:inchikey "InChIKey=FFGPTBGBLSHEPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:exactMatch wise:CAS_298-46-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbmzpne" ;
skos:prefLabel "carbamazepine"@nl ;
vcs:vmmParameterId "1396"^^xsd:int .
csc:CHEMONTID_0000107
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000107 ;
skos:definition "Compounds containing an oxazinane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a nitrogen atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxazinane, 1,3-oxazinane, and 1,4-oxazinane."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000107" ;
skos:prefLabel "Oxazinanes"@en .
csc:NNMHYFLPFNGQFZ-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24013 ;
dbo:casNumber "39301-03-6" , "88402-97-5" , "83856-16-0" , "25549-84-2" , "162122-62-5" , "65852-60-0" , "87912-58-1" , "74434-55-2" , "183599-07-7" , "124740-94-9" , "88895-33-4" , "67167-12-8" , "87210-28-4" , "65852-59-7" , "7446-81-3" , "72870-55-4" , "136753-34-9" , "8049-78-3" , "95077-68-2" , "100359-37-3" , "105287-10-3" , "9003-04-7" , "170427-67-5" , "114355-16-7" , "76559-77-8" , "56048-09-0" , "9080-35-7" , "199453-47-9" , "39283-05-1" , "123140-08-9" , "75718-67-1" , "126123-84-0" , "129979-04-0" , "135842-81-8" , "28603-11-4" , "113536-69-9" , "77847-76-8" , "44196-70-5" , "63993-69-1" , "25052-79-3" , "9003-01-4" , "64441-46-9" , "67017-21-4" , "138961-78-1" ;
dbo:formula "C3H3NaO2" ;
dbo:inchi "InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium prop-2-enoate"@en ;
dbo:pubchem "24013"^^xsd:int ;
dbo:smiles "C=CC(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=NNMHYFLPFNGQFZ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polaclt" ;
skos:prefLabel "polyacrylaat"@nl .
csc:NSPMIYGKQJPBQR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9257 ;
dbo:casNumber "116421-29-5" , "288-88-0" , "288-89-1" , "63598-71-0" , "25167-73-1" , "27236-77-7" ;
dbo:formula "C2H3N3" ;
dbo:inchi "InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)" ;
dbo:iupacName "1H-1,2,4-Triazole"@en ;
dbo:pubchem "9257"^^xsd:int ;
dbo:smiles "C1=NC=NN1" ;
dbp:inchikey "InChIKey=NSPMIYGKQJPBQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124Tazl" ;
skos:prefLabel "1,2,4-triazool"@nl .
csc:IPCSVZSSVZVIGE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:985 ;
dbo:casNumber "67701-02-4" , "212625-86-0" , "57-10-3" , "60605-23-4" , "116860-99-2" , "66321-94-6" ;
dbo:formula "C16H32O2" ;
dbo:inchi "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" ;
dbo:iupacName "Hexadecanoic acid"@en ;
dbo:pubchem "985"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=IPCSVZSSVZVIGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C16azr" ;
skos:prefLabel "hexadecaanzuur"@nl .
csc:GXAMYUGOODKVRM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10087 ;
dbo:casNumber "467-69-6" ;
dbo:formula "C14H10O3" ;
dbo:inchi "InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)" ;
dbo:iupacName "9-Hydroxyfluorene-9-carboxylic acid"@en ;
dbo:pubchem "10087"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O" ;
dbp:inchikey "InChIKey=GXAMYUGOODKVRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurnl" ;
skos:prefLabel "flurenol"@nl .
csc:CHEMONTID_0000250
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000250 ;
skos:definition "Organic compounds containing an imidazolidine ring, which is a saturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only single bonds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PDQAZBWRQCGBEV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000250" ;
skos:prefLabel "Imidazolidines"@en .
csc:CHEMONTID_0004225
skos:narrower csc:KRRBFUJMQBDDPR-UHFFFAOYSA-N , csc:JUZXDNPBRPUIOR-UHFFFAOYSA-N .
csc:VLPFTAMPNXLGLX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10850 ;
dbo:casNumber "538-23-8" , "114355-15-6" ;
dbo:formula "C27H50O6" ;
dbo:inchi "InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3" ;
dbo:iupacName "2,3-di(octanoyloxy)propyl octanoate"@en ;
dbo:pubchem "10850"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC" ;
dbp:inchikey "InChIKey=VLPFTAMPNXLGLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrTocnat" ;
skos:prefLabel "glyceroltrioctanoaat"@nl .
csc:NKTOLZVEWDHZMU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7267 ;
dbo:casNumber "145929-31-3" , "50356-12-2" , "95-87-4" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3" ;
dbo:iupacName "2,5-Dimethylphenol"@en ;
dbo:pubchem "7267"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)O" ;
dbp:inchikey "InChIKey=NKTOLZVEWDHZMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004215 ;
skos:exactMatch wise:CAS_95-87-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yFol" ;
skos:prefLabel "2,5-dimethylfenol"@nl ;
vcs:vmmParameterId "700"^^xsd:int .
csc:DSSYKIVIOFKYAU-OMNKOJBGSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10050 ;
dbo:casNumber "464-48-2" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m1/s1" ;
dbo:iupacName "(1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"@en ;
dbo:pubchem "10050"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)C)C" ;
dbp:inchikey "InChIKey=DSSYKIVIOFKYAU-OMNKOJBGSA-N" ;
skos:altLabel "(1s)-kamfer"@nl ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1skamfr" ;
skos:prefLabel "(1S)-kamfer"@nl .
csc:CHEMONTID_0001392
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001392 ;
skos:definition "Plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001392" ;
skos:prefLabel "Lignans, neolignans and related compounds"@en .
csc:KLAPGAOQRZTCBI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9011 ;
dbo:casNumber "150-50-5" ;
dbo:formula "C12H27PS3" ;
dbo:inchi "InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "tris(butylsulfanyl)phosphane"@en ;
dbo:pubchem "9011"^^xsd:int ;
dbo:smiles "CCCCSP(SCCCC)SCCCC" ;
dbp:inchikey "InChIKey=KLAPGAOQRZTCBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "merfs" ;
skos:prefLabel "merfos"@nl .
csc:IQGKIPDJXCAMSM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93422 ;
dbo:casNumber "72459-58-6" ;
dbo:formula "C10H6ClN5O" ;
dbo:inchi "InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H" ;
dbo:iupacName "7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium"@en ;
dbo:pubchem "93422"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-]" ;
dbp:inchikey "InChIKey=IQGKIPDJXCAMSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004107 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TazO" ;
skos:prefLabel "triazoxide"@nl .
csc:SRCNPEKLEHSVCL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61104 ;
dbo:casNumber "354-11-0" ;
dbo:formula "C2HCl4F" ;
dbo:inchi "InChI=1S/C2HCl4F/c3-1(7)2(4,5)6/h1H" ;
dbo:iupacName "1,1,1,2-Tetrachloro-2-fluoroethane"@en ;
dbo:pubchem "61104"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=SRCNPEKLEHSVCL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK121a" ;
skos:prefLabel "1,1,1,2-tetrachloor-2-fluorethaan"@nl .
csc:CRDAMVZIKSXKFV-YFVJMOTDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:445070 ;
dbo:casNumber "106-28-5" , "4602-84-0" ;
dbo:formula "C15H26O" ;
dbo:inchi "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+" ;
dbo:iupacName "['3,7,11-trimethyldodeca-2,6,10-trien-1-ol', '(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol']"@en ;
dbo:pubchem "445070"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCCC(=CCO)C)C)C" ;
dbp:inchikey "InChIKey=CRDAMVZIKSXKFV-YFVJMOTDSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "farnsl" ;
skos:prefLabel "farnesol"@nl .
csc:ASXBYYWOLISCLQ-ZCTIVXDHSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6602480 ;
dbo:casNumber "128-46-1" ;
dbo:formula "C21H41N7O12" ;
dbo:inchi "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1" ;
dbo:iupacName "2-[(1R,2S,3S,4R,5S,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine"@en ;
dbo:pubchem "6602480"^^xsd:int ;
dbo:smiles "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O" ;
dbp:inchikey "InChIKey=ASXBYYWOLISCLQ-ZCTIVXDHSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHstreptmcne" ;
skos:prefLabel "dihydrostreptomycine"@nl .
csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9154 ;
dbo:casNumber "206-44-0" , "76774-50-0" ;
dbo:formula "C16H10" ;
dbo:inchi "InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H" ;
dbo:iupacName "FLUORANTHENE"@en ;
dbo:pubchem "9154"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4" ;
dbp:inchikey "InChIKey=GVEPBJHOBDJJJI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "fluoranteen"@nl , "fluorantheen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_206-44-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Flu" ;
skos:prefLabel "fluorantheen (b)"@nl ;
vcs:vmmParameterId "1430"^^xsd:int , "429"^^xsd:int .
csc:CHEMONTID_0004766
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004766 ;
skos:definition "Aromatic compound contaning a phosphonothioate, which is C-substituted with a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004766" ;
skos:prefLabel "Phenylphosphonothioates"@en .
csc:CHEMONTID_0001313
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001313 ;
skos:definition "Organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VBKKVDGJXVOLNE-UHFFFAOYSA-N , csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N , csc:AWBIJARKDOFDAN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001313" ;
skos:prefLabel "1,4-dioxanes"@en .
csc:HGINCPLSRVDWNT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7847 ;
dbo:casNumber "107-02-8" , "25068-14-8" , "25314-61-8" ;
dbo:formula "C3H4O" ;
dbo:inchi "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" ;
dbo:iupacName "prop-2-enal"@en ;
dbo:pubchem "7847"^^xsd:int ;
dbo:smiles "C=CC=O" ;
dbp:inchikey "InChIKey=HGINCPLSRVDWNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acAh" ;
skos:prefLabel "acrylaldehyde"@nl .
csc:INFDPOAKFNIJBF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15939 ;
dbo:casNumber "4685-14-7" , "116047-10-0" ;
dbo:formula "C12H14N2+2" ;
dbo:inchi "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2" ;
dbo:iupacName "1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium"@en ;
dbo:pubchem "15939"^^xsd:int ;
dbo:smiles "C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C" ;
dbp:inchikey "InChIKey=INFDPOAKFNIJBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000326 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parqt" ;
skos:prefLabel "paraquat"@nl .
csc:NYPJDWWKZLNGGM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3347 ;
dbo:casNumber "131641-62-8" , "67614-33-9" , "51630-58-1" , "67614-32-8" , "66267-77-4" ;
dbo:formula "C25H22ClNO3" ;
dbo:inchi "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate"@en ;
dbo:pubchem "3347"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=NYPJDWWKZLNGGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenvlrt" ;
skos:prefLabel "fenvaleraat"@nl .
csc:LRNJHZNPJSPMGK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25669 ;
dbo:casNumber "34460-46-3" , "13067-93-1" , "62421-62-9" , "62421-63-0" , "62421-61-8" ;
dbo:formula "C15H14NO2PS" ;
dbo:inchi "InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3" ;
dbo:iupacName "4-(ethoxy-phenylphosphinothioyl)oxybenzonitrile"@en ;
dbo:pubchem "25669"^^xsd:int ;
dbo:smiles "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N" ;
dbp:inchikey "InChIKey=LRNJHZNPJSPMGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyanffs" ;
skos:prefLabel "cyanofenfos"@nl .
csc:WDECIBYCCFPHNR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9171 ;
dbo:casNumber "65777-08-4" , "218-01-9" , "27274-05-1" ;
dbo:formula "C18H12" ;
dbo:inchi "InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H" ;
dbo:iupacName "Chrysene"@en ;
dbo:pubchem "9171"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43" ;
dbp:inchikey "InChIKey=WDECIBYCCFPHNR-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0001142 ;
skos:exactMatch wise:CAS_218-01-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Chr" ;
skos:prefLabel "chryseen"@nl ;
vcs:vmmParameterId "425"^^xsd:int , "1427"^^xsd:int .
csc:QVYRGXJJSLMXQH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4601 ;
dbo:casNumber "83-98-7" ;
dbo:formula "C18H23NO" ;
dbo:inchi "InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3" ;
dbo:iupacName "N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine"@en ;
dbo:pubchem "4601"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C" ;
dbp:inchikey "InChIKey=QVYRGXJJSLMXQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orfadne" ;
skos:prefLabel "orfenadrine"@nl .
csc:JJCFRYNCJDLXIK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2913 ;
dbo:casNumber "129-03-3" ;
dbo:formula "C21H21N" ;
dbo:inchi "InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3" ;
dbo:iupacName "1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine"@en ;
dbo:pubchem "2913"^^xsd:int ;
dbo:smiles "CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1" ;
dbp:inchikey "InChIKey=JJCFRYNCJDLXIK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypHpdne" ;
skos:prefLabel "cyproheptadine"@nl .
csc:WHDGWKAJBYRJJL-UHFFFAOYSA-K
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26710 ;
dbo:casNumber "14484-64-1" , "64070-92-4" , "21696-59-3" , "301-05-3" , "13494-27-4" ;
dbo:formula "C9H18FeN3S6" ;
dbo:inchi "InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3" ;
dbo:iupacName "dimethylaminomethanedithioate; iron(+3) cation"@en ;
dbo:pubchem "26710"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]" ;
dbp:inchikey "InChIKey=WHDGWKAJBYRJJL-UHFFFAOYSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ferbm" ;
skos:prefLabel "ferbam"@nl .
csc:ULDHMXUKGWMISQ-VIFPVBQESA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16724 ;
dbo:casNumber "2244-16-8" , "53763-73-8" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1" ;
dbo:iupacName "(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one"@en ;
dbo:pubchem "16724"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1=O)C(=C)C" ;
dbp:inchikey "InChIKey=ULDHMXUKGWMISQ-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dcarvn" ;
skos:prefLabel "d-carvon"@nl .
csc:CGIGDMFJXJATDK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3715 ;
dbo:casNumber "37242-43-6" , "53-86-1" , "91853-74-6" ;
dbo:formula "C19H16ClNO4" ;
dbo:inchi "InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)" ;
dbo:iupacName "2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid"@en ;
dbo:pubchem "3715"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O" ;
dbp:inchikey "InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001753 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indmtcne" ;
skos:prefLabel "indometacine"@nl .
csc:CHEMONTID_0004830
skos:narrower csc:UWYHMGVUTGAWSP-JKIFEVAISA-N , csc:UIOFUWFRIANQPC-JKIFEVAISA-N , csc:LQOLIRLGBULYKD-JKIFEVAISA-N , csc:JQRZBPFGBRIWSN-YOTVLOEGSA-N , csc:JGSARLDLIJGVTE-MBNYWOFBSA-N , csc:GBXSMTUPTTWBMN-XIRDDKMYSA-N , csc:CZRQXSDBMCMPNJ-ZUIPZQNBSA-N .
csc:SNXPWYFWAZVIAU-GKFVBPDJSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5367369 ;
dbo:casNumber "1808-26-0" ;
dbo:formula "C22H36O2" ;
dbo:inchi "InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11-,15-14-,18-17-" ;
dbo:iupacName "ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"@en ;
dbo:pubchem "5367369"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC" ;
dbp:inchikey "InChIKey=SNXPWYFWAZVIAU-GKFVBPDJSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC20aTzrC2y" ;
skos:prefLabel "cis-5,8,11,14-eicosatertaeenzuur ethylester"@nl .
csc:CHEMONTID_0003597
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003597 ;
skos:definition "Organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003597" ;
skos:prefLabel "Naphthalene sulfonic acids and derivatives"@en .
csc:FUSGACRLAFQQRL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12967 ;
dbo:casNumber "2151-05-5" , "759-73-9" ;
dbo:formula "C3H7N3O2" ;
dbo:inchi "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)" ;
dbo:iupacName "1-Ethyl-1-nitrosourea"@en ;
dbo:pubchem "12967"^^xsd:int ;
dbo:smiles "CCN(C(=O)N)N=O" ;
dbp:inchikey "InChIKey=FUSGACRLAFQQRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2y1NO2sura" ;
skos:prefLabel "1-ethyl-1-nitrosourea"@nl .
csc:VTHRQKSLPFJQHN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76921 ;
dbo:casNumber "3386-87-6" ;
dbo:formula "C8H12N2O2" ;
dbo:inchi "InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2" ;
dbo:iupacName "3-[2-(2-cyanoethoxy)ethoxy]propanenitrile"@en ;
dbo:pubchem "76921"^^xsd:int ;
dbo:smiles "C(COCCOCCC#N)C#N" ;
dbp:inchikey "InChIKey=VTHRQKSLPFJQHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33C2yeDoxDpp" ;
skos:prefLabel "3,3'-(ethyleendioxy)dipropiononitril"@nl .
csc:XMROPFQWHHUFFS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16663 ;
dbo:casNumber "2216-32-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3" ;
dbo:iupacName "4-ETHYLHEPTANE"@en ;
dbo:pubchem "16663"^^xsd:int ;
dbo:smiles "CCCC(CC)CCC" ;
dbp:inchikey "InChIKey=XMROPFQWHHUFFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2yC7a" ;
skos:prefLabel "4-ethylheptaan"@nl .
csc:CWYNVVGOOAEACU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:27284 ;
dbo:casNumber "15438-31-0" ;
dbo:formula "Fe+2" ;
dbo:inchi "InChI=1S/Fe/q+2" ;
dbo:iupacName "iron(+2) cation"@en ;
dbo:pubchem "27284"^^xsd:int ;
dbo:smiles "[Fe+2]" ;
dbp:inchikey "InChIKey=CWYNVVGOOAEACU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeII" ;
skos:prefLabel "ijzer (tweewaardig)"@nl .
csc:FJDPATXIBIBRIM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38283 ;
dbo:casNumber "39515-40-7" ;
dbo:formula "C24H25NO3" ;
dbo:inchi "InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "38283"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C" ;
dbp:inchikey "InChIKey=FJDPATXIBIBRIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyfntn" ;
skos:prefLabel "cyfenothrin"@nl .
csc:CHEMONTID_0001286
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001286 ;
skos:definition "Organic compounds containing two hydroxyl groups attached to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001286" ;
skos:prefLabel "Benzenediols"@en .
csc:QSLMDECMDJKHMQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4011 ;
dbo:casNumber "10262-69-8" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3" ;
dbo:iupacName "N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine"@en ;
dbo:pubchem "4011"^^xsd:int ;
dbo:smiles "CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24" ;
dbp:inchikey "InChIKey=QSLMDECMDJKHMQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000018 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "maptlne" ;
skos:prefLabel "maprotiline"@nl .
csc:RWTNPBWLLIMQHL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3348 ;
dbo:casNumber "83799-24-0" , "159389-12-5" , "76815-58-2" ;
dbo:formula "C32H39NO4" ;
dbo:inchi "InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)" ;
dbo:iupacName "2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid"@en ;
dbo:pubchem "3348"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O" ;
dbp:inchikey "InChIKey=RWTNPBWLLIMQHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fexfndne" ;
skos:prefLabel "fexofenadine"@nl .
csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31070 ;
dbo:casNumber "22224-92-6" ;
dbo:formula "C13H22NO3PS" ;
dbo:inchi "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine"@en ;
dbo:pubchem "31070"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C" ;
dbp:inchikey "InChIKey=ZCJPOPBZHLUFHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:exactMatch wise:CAS_22224-92-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenamfs" ;
skos:prefLabel "fenamifos"@nl ;
vcs:vmmParameterId "1022"^^xsd:int .
csc:TULCXSBAPHCWCF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36218 ;
dbo:casNumber "32690-93-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "36218"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=TULCXSBAPHCWCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB74" ;
skos:prefLabel "2,4,4',5-tetrachloorbifenyl"@nl .
csc:RUKISNQKOIKZGT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8407 ;
dbo:casNumber "119-75-5" ;
dbo:formula "C12H10N2O2" ;
dbo:inchi "InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H" ;
dbo:iupacName "['N-hydroxy-2-(phenylamino)benzeneamine oxide', 'N-oxido-N-[2-(phenylamino)phenyl]hydroxylamine', '2-Nitro-N-phenylaniline']"@en ;
dbo:pubchem "8407"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RUKISNQKOIKZGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2DFyAe" ;
skos:prefLabel "2-nitrodifenylamine"@nl .
csc:CHEMONTID_0002434
skos:narrower csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N , csc:SXRSQZLOMIGNAQ-UHFFFAOYSA-N , csc:PCSMJKASWLYICJ-UHFFFAOYSA-N , csc:NBBJYMSMWIIQGU-UHFFFAOYSA-N , csc:HGBOYTHUEUWSSQ-UHFFFAOYSA-N .
csc:FKLFBQCQQYDUAM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91724 ;
dbo:casNumber "74738-17-3" ;
dbo:formula "C11H6Cl2N2" ;
dbo:inchi "InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H" ;
dbo:iupacName "4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile"@en ;
dbo:pubchem "91724"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N" ;
dbp:inchikey "InChIKey=FKLFBQCQQYDUAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenpcnl" ;
skos:prefLabel "fenpiclonil"@nl .
csc:XNCNNDVCAUWAIT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7826 ;
dbo:casNumber "106-73-0" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3" ;
dbo:iupacName "METHYL HEPTANOATE"@en ;
dbo:pubchem "7826"^^xsd:int ;
dbo:smiles "CCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=XNCNNDVCAUWAIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7azrC1yEsr" ;
skos:prefLabel "heptaanzuur methylester"@nl .
csc:TZBPRYIIJAJUOY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31957 ;
dbo:casNumber "23505-41-1" ;
dbo:formula "C13H24N3O3PS" ;
dbo:inchi "InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3" ;
dbo:iupacName "4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine"@en ;
dbo:pubchem "31957"^^xsd:int ;
dbo:smiles "CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C" ;
dbp:inchikey "InChIKey=TZBPRYIIJAJUOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yprmfs" ;
skos:prefLabel "ethylpirimifos"@nl .
csc:CHEMONTID_0001207
skos:narrower csc:BRWIZMBXBAOCCF-UHFFFAOYSA-N .
csc:AKCRQHGQIJBRMN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7240 ;
dbo:casNumber "27134-26-5" , "95-51-2" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2" ;
dbo:iupacName "2-Chloroaniline"@en ;
dbo:pubchem "7240"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)Cl" ;
dbp:inchikey "InChIKey=AKCRQHGQIJBRMN-UHFFFAOYSA-N" ;
skos:altLabel "2-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_95-51-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClAn" ;
skos:prefLabel "o-chlooraniline"@nl ;
vcs:vmmParameterId "47"^^xsd:int .
csc:DURPTKYDGMDSBL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'dibutylether'"@nl ;
rdfs:seeAlso compound:8909 ;
dbo:casNumber "142-96-1" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3" ;
dbo:iupacName "1-Butoxybutane"@en ;
dbo:pubchem "8909"^^xsd:int ;
dbo:smiles "CCCCOCCCC" ;
dbp:inchikey "InChIKey=DURPTKYDGMDSBL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_008 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-n-butylether"@nl .
csc:VDUWPHTZYNWKRN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2762 ;
dbo:casNumber "28657-80-9" ;
dbo:formula "C12H10N2O5" ;
dbo:inchi "InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)" ;
dbo:iupacName "1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid"@en ;
dbo:pubchem "2762"^^xsd:int ;
dbo:smiles "CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3" ;
dbp:inchikey "InChIKey=VDUWPHTZYNWKRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000206 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cinoxacine"@nl .
csc:RENMDAKOXSCIGH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7856 ;
dbo:casNumber "107-14-2" , "1867-10-3" ;
dbo:formula "C2H2ClN" ;
dbo:inchi "InChI=1S/C2H2ClN/c3-1-2-4/h1H2" ;
dbo:iupacName "2-Chloroacetonitrile"@en ;
dbo:pubchem "7856"^^xsd:int ;
dbo:smiles "C(C#N)Cl" ;
dbp:inchikey "InChIKey=RENMDAKOXSCIGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clactntl" ;
skos:prefLabel "chlooracetonitril"@nl .
csc:SZFRZEBLZFTODC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11270 ;
dbo:casNumber "61665-19-8" , "565-77-5" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3" ;
dbo:iupacName "2,3,4-trimethylpent-2-ene"@en ;
dbo:pubchem "11270"^^xsd:int ;
dbo:smiles "CC(C)C(=C(C)C)C" ;
dbp:inchikey "InChIKey=SZFRZEBLZFTODC-UHFFFAOYSA-N" ;
skos:altLabel "2,3,4-Trimethyl-2-penteen"@nl ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TC1y2C5e" ;
skos:prefLabel "2,3,4-trimethyl-2-penteen"@nl .
csc:GDSSTYXBZTUGSJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:176451 ;
dbo:casNumber "27176-95-0" ;
dbo:formula "C21H36O4" ;
dbo:inchi "InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-11-20-12-9-10-13-21(20)25-19-18-24-17-16-23-15-14-22/h9-10,12-13,22H,2-8,11,14-19H2,1H3" ;
dbo:iupacName "2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "176451"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCO" ;
dbp:inchikey "InChIKey=GDSSTYXBZTUGSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO3" ;
skos:prefLabel "nonylfenoltriethoxylaat"@nl .
csc:CHEMONTID_0001350
skos:narrower csc:HOQADATXFBOEGG-UHFFFAOYSA-N , csc:UCVPKAZCQPRWAY-UHFFFAOYSA-N , csc:VOWAEIGWURALJQ-UHFFFAOYSA-N , csc:HRAQMGWTPNOILP-UHFFFAOYSA-N , csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N , csc:YEHGKFOTJWYCBN-UHFFFAOYSA-N , csc:XMQFTWRPUQYINF-UHFFFAOYSA-N , csc:LGBAGUMSAPUZPU-UHFFFAOYSA-N , csc:PUFGCEQWYLJYNJ-UHFFFAOYSA-N , csc:NIQCNGHVCWTJSM-UHFFFAOYSA-N , csc:DJDSLBVSSOQSLW-UHFFFAOYSA-N , csc:JEDYYFXHPAIBGR-UHFFFAOYSA-N , csc:PGIBJVOPLXHHGS-UHFFFAOYSA-N , csc:MQHNKCZKNAJROC-UHFFFAOYSA-N , csc:DZUPKTNAUCDVTL-UHFFFAOYSA-N , csc:QQVHEQUEHCEAKS-UHFFFAOYSA-N , csc:ALEROMXYYSQFLX-UHFFFAOYSA-N , csc:MURWRBWZIMXKGC-UHFFFAOYSA-N , csc:BJQHLKABXJIVAM-UHFFFAOYSA-N , csc:YFVOXLJXJBQDEF-UHFFFAOYSA-N , csc:CMCJNODIWQEOAI-UHFFFAOYSA-N , csc:CAABRJFUDNBRJZ-UHFFFAOYSA-N , csc:BCSGAWBQJHXXSE-UHFFFAOYSA-N , csc:JANBFCARANRIKJ-UHFFFAOYSA-N , csc:HSUIVCLOAAJSRE-UHFFFAOYSA-N , csc:IPKKHRVROFYTEK-UHFFFAOYSA-N , csc:PZBLUWVMZMXIKZ-UHFFFAOYSA-N , csc:RSMUVYRMZCOLBH-UHFFFAOYSA-N , csc:RIPPXFWUYXTRNJ-BHARVXRSSA-N , csc:QWDBCIAVABMJPP-UHFFFAOYSA-N , csc:HBGGXOJOCNVPFY-UHFFFAOYSA-N , csc:GOJCZVPJCKEBQV-UHFFFAOYSA-N , csc:KCXZNSGUUQJJTR-UHFFFAOYSA-N , csc:GVGYEFKIHJTNQZ-CLRIEMFWSA-N , csc:BLFLLBZGZJTVJG-UHFFFAOYSA-N , csc:ZVFDTKUVRCTHQE-UHFFFAOYSA-N , csc:NMPOSNRHZIWLLL-SSHXOBKSSA-N , csc:MGWAVDBGNNKXQV-UHFFFAOYSA-N , csc:IJFPVINAQGWBRJ-UHFFFAOYSA-N , csc:MQIUGAXCHLFZKX-UHFFFAOYSA-N , csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N , csc:DROMNWUQASBTFM-UHFFFAOYSA-N , csc:JQCXWCOOWVGKMT-UHFFFAOYSA-N , csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N , csc:FFCCBBNQPIMUJI-UHFFFAOYSA-N , csc:FLKPEMZONWLCSK-UHFFFAOYSA-N , csc:RKELNIPLHQEBJO-UHFFFAOYSA-N , csc:SESFRYSPDFLNCH-UHFFFAOYSA-N .
csc:CHEMONTID_0000123
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000123 ;
skos:definition "Organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000123" ;
skos:prefLabel "Benzopyrans"@en .
csc:HFFLGKNGCAIQMO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6407 ;
dbo:casNumber "75-87-6" ;
dbo:formula "C2HCl3O" ;
dbo:inchi "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H" ;
dbo:iupacName "2,2,2-Trichloroacetaldehyde"@en ;
dbo:pubchem "6407"^^xsd:int ;
dbo:smiles "C(=O)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=HFFLGKNGCAIQMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC2al" ;
skos:prefLabel "trichloorethanal"@nl .
csc:SIGZQNJITOWQEF-VICXVTCVSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25962 ;
dbo:casNumber "3116-76-5" , "13412-64-1" ;
dbo:formula "C19H18Cl2N3NaO6S" ;
dbo:inchi "InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1" ;
dbo:iupacName "sodium (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate"@en ;
dbo:pubchem "25962"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]" ;
dbp:inchikey "InChIKey=SIGZQNJITOWQEF-VICXVTCVSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcloxclne" ;
skos:prefLabel "dicloxacilline"@nl .
csc:VMPITZXILSNTON-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7000 ;
dbo:casNumber "29191-52-4" , "90-04-0" ;
dbo:formula "C7H9NO" ;
dbo:inchi "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3" ;
dbo:iupacName "2-Methoxyaniline"@en ;
dbo:pubchem "7000"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1N" ;
dbp:inchikey "InChIKey=VMPITZXILSNTON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxAn" ;
skos:prefLabel "2-methoxyaniline"@nl .
csc:WGOWCPGHOCIHBW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7328 ;
dbo:casNumber "11137-49-8" , "97-17-6" ;
dbo:formula "C10H13Cl2O3PS" ;
dbo:inchi "InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3" ;
dbo:iupacName "(2,4-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "7328"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=WGOWCPGHOCIHBW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfton" ;
skos:prefLabel "dichlofenthion"@nl .
csc:BUGBHKTXTAQXES-AHCXROLUSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328176 ;
dbo:casNumber "14265-71-5" ;
dbo:formula "Se" ;
dbo:inchi "InChI=1S/Se/i1-4" ;
dbo:iupacName "selenium-75"@en ;
dbo:pubchem "6328176"^^xsd:int ;
dbo:smiles "[Se]" ;
dbp:inchikey "InChIKey=BUGBHKTXTAQXES-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Se75" ;
skos:prefLabel "seleen 75"@nl .
csc:CHEMONTID_0000038
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000038 ;
skos:definition "Organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WURGXGVFSMYFCG-UHFFFAOYSA-N , csc:XAUGWFWQVYXATQ-UHFFFAOYSA-N , csc:UDCDOJQOXWCCSD-UHFFFAOYSA-N , csc:ZBMZVLHSJCTVON-UHFFFAOYSA-N , csc:VIDRYROWYFWGSY-UHFFFAOYSA-N , csc:QCDQDISRALTLNQ-UHFFFAOYSA-N , csc:OKIBNKKYNPBDRS-UHFFFAOYSA-N , csc:HYVWIQDYBVKITD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000038" ;
skos:prefLabel "Sulfanilides"@en .
csc:DDXLVDQZPFLQMZ-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8152 ;
dbo:casNumber "71061-07-9" , "10182-91-9" , "112-00-5" , "59680-23-8" , "37293-08-6" , "37380-56-6" , "108779-79-9" , "62395-69-1" ;
dbo:formula "C15H34ClN" ;
dbo:inchi "InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dodecyl-trimethylazanium chloride"@en ;
dbo:pubchem "8152"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "InChIKey=DDXLVDQZPFLQMZ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12ylTC1ylNH" ;
skos:prefLabel "dodecyltrimethylammoniumchloride"@nl .
csc:CHEMONTID_0001891
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001891 ;
skos:definition "Polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YREYEVIYCVEVJK-UHFFFAOYSA-N , csc:SUBDBMMJDZJVOS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001891" ;
skos:prefLabel "Sulfinylbenzimidazoles"@en .
csc:MFESCIUQSIBMSM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8006 ;
dbo:casNumber "109-70-6" ;
dbo:formula "C3H6BrCl" ;
dbo:inchi "InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2" ;
dbo:iupacName "1-Bromo-3-chloropropane"@en ;
dbo:pubchem "8006"^^xsd:int ;
dbo:smiles "C(CCl)CBr" ;
dbp:inchikey "InChIKey=MFESCIUQSIBMSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Br3ClC3a" ;
skos:prefLabel "1-broom-3-chloorpropaan"@nl .
csc:FGXWKSZFVQUSTL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3151 ;
dbo:casNumber "57808-66-9" ;
dbo:formula "C22H24ClN5O2" ;
dbo:inchi "InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)" ;
dbo:iupacName "6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one"@en ;
dbo:pubchem "3151"^^xsd:int ;
dbo:smiles "C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O" ;
dbp:inchikey "InChIKey=FGXWKSZFVQUSTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "domperidon"@nl .
csc:JWAZRIHNYRIHIV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8663 ;
dbo:casNumber "1321-67-1" , "135-19-3" ;
dbo:formula "C10H8O" ;
dbo:inchi "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" ;
dbo:iupacName "naphthalen-2-ol"@en ;
dbo:pubchem "8663"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)O" ;
dbp:inchikey "InChIKey=JWAZRIHNYRIHIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002441 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxNaf" ;
skos:prefLabel "2-naftol"@nl .
csc:HSYISQLUXXBNFW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:185719 ;
dbo:casNumber "30125-64-5" ;
dbo:formula "C8H15N5O" ;
dbo:inchi "InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)" ;
dbo:iupacName "N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "185719"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)N)OC" ;
dbp:inchikey "InChIKey=HSYISQLUXXBNFW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2ytbmtn" ;
skos:prefLabel "desethylterbumeton"@nl .
csc:RDOXTESZEPMUJZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7519 ;
dbo:casNumber "100-66-3" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "Methoxybenzene"@en ;
dbo:pubchem "7519"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=RDOXTESZEPMUJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ansl" ;
skos:prefLabel "anisool"@nl .
csc:PZBQVZFITSVHAW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66760 ;
dbo:casNumber "94-97-3" ;
dbo:formula "C6H4ClN3" ;
dbo:inchi "InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)" ;
dbo:iupacName "5-chloro-2H-benzotriazole"@en ;
dbo:pubchem "66760"^^xsd:int ;
dbo:smiles "C1=CC2=NNN=C2C=C1Cl" ;
dbp:inchikey "InChIKey=PZBQVZFITSVHAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Clbztazl" ;
skos:prefLabel "5-chloorbenzotriazool"@nl .
csc:CHEMONTID_0000181
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000181 ;
skos:definition "Polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SEPIRJBAIBYOSG-IGVRTFPHSA-N , csc:KWOLJWUETSQNHB-CFLUDCDHSA-N , csc:JYHCQVWYCGHXGP-BPPSBWQWSA-N , csc:QRTMTZAUGTXZOA-ZGYDFYMOSA-N , csc:RRXOSDMYCQSQHB-MRYPCDLHSA-N ;
skos:notation "CHEMONTID:0000181" ;
skos:prefLabel "Tetracyclines"@en .
csc:QTBSBXVTEAMEQO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:176 ;
dbo:casNumber "9035-69-2" , "77671-22-8" , "157090-22-7" , "68475-71-8" , "64-19-7" , "207004-55-5" ;
dbo:formula "C2H4O2" ;
dbo:inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" ;
dbo:iupacName "acetic acid"@en ;
dbo:pubchem "176"^^xsd:int ;
dbo:smiles "CC(=O)O" ;
dbp:inchikey "InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N" ;
skos:altLabel "azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HAc" ;
skos:prefLabel "azijnzuur "@nl .
csc:SFVFIFLLYFPGHH-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31204 ;
dbo:casNumber "37243-60-0" , "37612-69-4" , "122-19-0" , "60650-76-2" , "89004-38-6" ;
dbo:formula "C27H50ClN" ;
dbo:inchi "InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-octadecylazanium chloride"@en ;
dbo:pubchem "31204"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=SFVFIFLLYFPGHH-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzDC1yC18y" ;
skos:prefLabel "benzyldimethyloctadecylammoniumchloride"@nl .
csc:CVQODEWAPZVVBU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17563 ;
dbo:casNumber "2655-14-3" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)" ;
dbo:iupacName "(3,5-dimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17563"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)OC(=O)NC)C" ;
dbp:inchikey "InChIKey=CVQODEWAPZVVBU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "XMC" ;
skos:prefLabel "3,5-xylylmethylcarbamaat"@nl .
csc:YXKMMRDKEKCERS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9862076 ;
dbo:casNumber "120116-88-3" ;
dbo:formula "C13H13ClN4O2S" ;
dbo:inchi "InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3" ;
dbo:iupacName "4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide"@en ;
dbo:pubchem "9862076"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl" ;
dbp:inchikey "InChIKey=YXKMMRDKEKCERS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002327 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyazfAd" ;
skos:prefLabel "cyazofamide"@nl .
csc:QKSKPIVNLNLAAV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10461 ;
dbo:casNumber "39472-40-7" , "68157-62-0" , "69020-37-7" , "505-60-2" ;
dbo:formula "C4H8Cl2S" ;
dbo:inchi "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethylsulfanyl)ethane"@en ;
dbo:pubchem "10461"^^xsd:int ;
dbo:smiles "C(CCl)SCCCl" ;
dbp:inchikey "InChIKey=QKSKPIVNLNLAAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mostgs" ;
skos:prefLabel "mosterdgas"@nl .
csc:SWQJXJOGLNCZEY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23987 ;
dbo:casNumber "14762-55-1" , "71086-78-7" , "494798-31-1" , "7440-59-7" ;
dbo:formula "He" ;
dbo:inchi "InChI=1S/He" ;
dbo:iupacName "HELIUM"@en ;
dbo:pubchem "23987"^^xsd:int ;
dbo:smiles "[He]" ;
dbp:inchikey "InChIKey=SWQJXJOGLNCZEY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "He" ;
skos:prefLabel "helium"@nl .
csc:CHEMONTID_0001244
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001244 ;
skos:definition "Cyclic organic compounds containing an oxan-2- one moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RYMZZMVNJRMUDD-HGQWONQESA-N ;
skos:notation "CHEMONTID:0001244" ;
skos:prefLabel "Delta valerolactones"@en .
csc:CHEMONTID_0000017
skos:narrower csc:HGCIXCUEYOPUTN-UHFFFAOYSA-N , csc:BBDKZWKEPDTENS-UHFFFAOYSA-N .
csc:JFDZBHWFFUWGJE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7505 ;
dbo:casNumber "100-47-0" ;
dbo:formula "C7H5N" ;
dbo:inchi "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H" ;
dbo:iupacName "Benzonitrile"@en ;
dbo:pubchem "7505"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C#N" ;
dbp:inchikey "InChIKey=JFDZBHWFFUWGJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzntl" ;
skos:prefLabel "benzonitril"@nl .
csc:WYZDCUGWXKHESN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21583 ;
dbo:casNumber "102-05-6" ;
dbo:formula "C15H17N" ;
dbo:inchi "InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3" ;
dbo:iupacName "N-methyl-1-phenyl-N-(phenylmethyl)methanamine"@en ;
dbo:pubchem "21583"^^xsd:int ;
dbo:smiles "CN(CC1=CC=CC=C1)CC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=WYZDCUGWXKHESN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NbzNC1y1FyC1" ;
skos:prefLabel "N-benzyl-N-methyl-1-phenylmethanamine"@nl .
csc:CHEMONTID_0000160
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000160 ;
skos:definition "Compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000160" ;
skos:prefLabel "Lactams"@en .
csc:GKOZUEZYRPOHIO-YPZZEJLDSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:167220 ;
dbo:casNumber "14981-91-0" ;
dbo:formula "Ir" ;
dbo:inchi "InChI=1S/Ir/i1-2" ;
dbo:iupacName "iridium-190"@en ;
dbo:pubchem "167220"^^xsd:int ;
dbo:smiles "[Ir]" ;
dbp:inchikey "InChIKey=GKOZUEZYRPOHIO-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ir190" ;
skos:prefLabel "iridium 190"@nl .
csc:ZGEGCLOFRBLKSE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:11610 ;
dbo:casNumber "592-76-7" , "68526-53-4" , "25339-56-4" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3" ;
dbo:iupacName "hept-1-ene"@en ;
dbo:pubchem "11610"^^xsd:int ;
dbo:smiles "CCCCCC=C" ;
dbp:inchikey "InChIKey=ZGEGCLOFRBLKSE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_005 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C7e" ;
skos:prefLabel "1-hepteen"@nl .
csc:ZDPHROOEEOARMN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8180 ;
dbo:casNumber "112-37-8" ;
dbo:formula "C11H22O2" ;
dbo:inchi "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" ;
dbo:iupacName "Undecanoic acid"@en ;
dbo:pubchem "8180"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=ZDPHROOEEOARMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11azr" ;
skos:prefLabel "undecaanzuur"@nl .
csc:VVBLNCFGVYUYGU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7031 ;
dbo:casNumber "90-94-8" ;
dbo:formula "C17H20N2O" ;
dbo:inchi "InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3" ;
dbo:iupacName "bis(4-dimethylaminophenyl)methanone"@en ;
dbo:pubchem "7031"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "InChIKey=VVBLNCFGVYUYGU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1aDAobzfn" ;
skos:prefLabel "tetramethyldiaminobenzofenon"@nl .
csc:RDYMFSUJUZBWLH-VQDHCCOSSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6434141 ;
dbo:casNumber "891-86-1" , "19670-15-6" , "33213-65-9" , "12640-59-4" ;
dbo:formula "C9H6Cl6O3S" ;
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m0/s1" ;
dbo:iupacName "(1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en ;
dbo:pubchem "6434141"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RDYMFSUJUZBWLH-VQDHCCOSSA-N" ;
skos:broader csc:CHEMONTID_0002074 ;
skos:exactMatch wise:CAS_33213-65-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bedsfn" ;
skos:prefLabel "beta-endosulfan"@nl ;
vcs:vmmParameterId "237"^^xsd:int .
csc:CHEMONTID_0000075
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000075 ;
skos:definition "Compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000075" ;
skos:prefLabel "Pyrimidines and pyrimidine derivatives"@en .
csc:SPJOZZSIXXJYBT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6636 ;
dbo:casNumber "80-38-6" ;
dbo:formula "C12H9ClO3S" ;
dbo:inchi "InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H" ;
dbo:iupacName "(4-chlorophenyl) benzenesulfonate"@en ;
dbo:pubchem "6636"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=SPJOZZSIXXJYBT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fensn" ;
skos:prefLabel "fenson"@nl .
csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7242 ;
dbo:casNumber "95-53-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3" ;
dbo:iupacName "2-Methylaniline"@en ;
dbo:pubchem "7242"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N" ;
dbp:inchikey "InChIKey=RNVCVTLRINQCPJ-UHFFFAOYSA-N" ;
skos:altLabel "o-toluïdine "@nl , "o-toluïdine"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yAn" ;
skos:prefLabel "2-methylaniline"@nl .
csc:LVDKZNITIUWNER-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2450 ;
dbo:casNumber "52-51-7" , "133248-96-1" ;
dbo:formula "C3H6BrNO4" ;
dbo:inchi "InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2" ;
dbo:iupacName "2-Bromo-2-nitropropane-1,3-diol"@en ;
dbo:pubchem "2450"^^xsd:int ;
dbo:smiles "C(C(CO)([N+](=O)[O-])Br)O" ;
dbp:inchikey "InChIKey=LVDKZNITIUWNER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004117 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bronpl" ;
skos:prefLabel "bronopol"@nl .
csc:CHEMONTID_0004676
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004676 ;
skos:definition "Aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N , csc:MZHCENGPTKEIGP-RXMQYKEDSA-N , csc:WNTGYJSOUMFZEP-SSDOTTSWSA-N , csc:HNDLJIIQWDVRRI-UHFFFAOYSA-N , csc:MZHCENGPTKEIGP-UHFFFAOYSA-N , csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004676" ;
skos:prefLabel "2-phenoxypropionic acids"@en .
csc:GEPDYQSQVLXLEU-WAYWQWQTSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6433175 ;
dbo:casNumber "338-45-4" ;
dbo:formula "C7H13O6P" ;
dbo:inchi "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-" ;
dbo:iupacName "methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate"@en ;
dbo:pubchem "6433175"^^xsd:int ;
dbo:smiles "CC(=CC(=O)OC)OP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=GEPDYQSQVLXLEU-WAYWQWQTSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tmevfs" ;
skos:prefLabel "trans-mevinfos"@nl .
csc:CHEMONTID_0003449
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003449 ;
skos:definition "Compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SECXISVLQFMRJM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003449" ;
skos:prefLabel "N-alkylpyrrolidines"@en .
csc:SCKHCCSZFPSHGR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17522 ;
dbo:casNumber "54578-39-1" , "12692-90-9" , "2636-26-2" ;
dbo:formula "C9H10NO3PS" ;
dbo:inchi "InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxybenzonitrile"@en ;
dbo:pubchem "17522"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)C#N" ;
dbp:inchikey "InChIKey=SCKHCCSZFPSHGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyanfs" ;
skos:prefLabel "cyanofos"@nl .
csc:CHEMONTID_0001223
skos:narrower csc:QSJXEFYPDANLFS-UHFFFAOYSA-N .
csc:ADIMAYPTOBDMTL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4616 ;
dbo:casNumber "61036-43-9" , "604-75-1" , "35295-88-6" ;
dbo:formula "C15H11ClN2O2" ;
dbo:inchi "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)" ;
dbo:iupacName "7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "4616"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O" ;
dbp:inchikey "InChIKey=ADIMAYPTOBDMTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxzpm" ;
skos:prefLabel "oxazepam"@nl .
csc:HKPHPIREJKHECO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31677 ;
dbo:casNumber "23184-66-9" ;
dbo:formula "C17H26ClNO2" ;
dbo:inchi "InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3" ;
dbo:iupacName "N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide"@en ;
dbo:pubchem "31677"^^xsd:int ;
dbo:smiles "CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl" ;
dbp:inchikey "InChIKey=HKPHPIREJKHECO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butCl" ;
skos:prefLabel "butachloor"@nl .
csc:KWOLJWUETSQNHB-CFLUDCDHSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5488501 ;
dbo:casNumber "564-25-0" , "69935-17-7" ;
dbo:formula "C22H29ClN2O10" ;
dbo:inchi "InChI=1S/C22H24N2O8.ClH.2H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;1H;2*1H2/b21-13-;;;/t7-,10+,14+,15-,17-,22-;;;/m0.../s1" ;
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride"@en ;
dbo:pubchem "5488501"^^xsd:int ;
dbo:smiles "CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.O.Cl" ;
dbp:inchikey "InChIKey=KWOLJWUETSQNHB-CFLUDCDHSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doxccne" ;
skos:prefLabel "doxycycline"@nl .
csc:SXQBHARYMNFBPS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9131 ;
dbo:casNumber "193-39-5" , "348085-46-1" ;
dbo:formula "C22H12" ;
dbo:inchi "InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H" ;
dbo:iupacName "hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene"@en ;
dbo:pubchem "9131"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3" ;
dbp:inchikey "InChIKey=SXQBHARYMNFBPS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "indeno(1,2,3-cd)pyreen"@nl , "indeno(1,2,3-cd)pyreen (b)"@nl ;
skos:broader csc:CHEMONTID_0001851 ;
skos:exactMatch wise:CAS_193-39-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "InP" ;
skos:prefLabel "indeno(1,2,3-c,d)pyreen"@nl ;
vcs:vmmParameterId "431"^^xsd:int , "1432"^^xsd:int .
csc:KEVMYFLMMDUPJE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14070 ;
dbo:casNumber "1072-16-8" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3" ;
dbo:iupacName "2,7-Dimethyloctane"@en ;
dbo:pubchem "14070"^^xsd:int ;
dbo:smiles "CC(C)CCCCC(C)C" ;
dbp:inchikey "InChIKey=KEVMYFLMMDUPJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "27DC1yC8a" ;
skos:prefLabel "2,7-dimethyloctaan"@nl .
csc:SPBDXSGPUHCETR-MVGRHBATSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6474909 ;
dbo:casNumber "70288-86-7" ;
dbo:formula "C95H146O28" ;
dbo:inchi "InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1" ;
dbo:iupacName "(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6474909"^^xsd:int ;
dbo:smiles "CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C(C)C" ;
dbp:inchikey "InChIKey=SPBDXSGPUHCETR-MVGRHBATSA-N" ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ivmctne" ;
skos:prefLabel "ivermectine"@nl .
csc:VEMKTZHHVJILDY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5053 ;
dbo:casNumber "10453-86-8" , "28434-01-7" , "10453-54-0" , "24380-84-5" ;
dbo:formula "C22H26O3" ;
dbo:inchi "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3" ;
dbo:iupacName "[5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "5053"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C" ;
dbp:inchikey "InChIKey=VEMKTZHHVJILDY-UHFFFAOYSA-N" ;
skos:altLabel "resmethrin"@nl ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "resmtn" , "biormtn" ;
skos:prefLabel "bioresmethrin"@nl .
csc:CHEMONTID_0001764
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001764 ;
skos:definition "Compounds containing a pyridinium ring, which is the cationic form of pyridine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SYJFEGQWDCRVNX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001764" ;
skos:prefLabel "Pyridinium derivatives"@en .
csc:OELBLPCWLAWABI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:49996 ;
dbo:casNumber "67888-96-4" ;
dbo:formula "C12H5Br5" ;
dbo:inchi "InChI=1S/C12H5Br5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,5-dibromophenyl)benzene"@en ;
dbo:pubchem "49996"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)C2=CC(=C(C=C2Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=OELBLPCWLAWABI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB101" ;
skos:prefLabel "2,2',4,5,5'-pentabroombifenyl"@nl .
csc:TXCGAZHTZHNUAI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2797 ;
dbo:casNumber "882-09-7" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)" ;
dbo:iupacName "2-(4-Chlorophenoxy)-2-methylpropanoic acid"@en ;
dbo:pubchem "2797"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=TXCGAZHTZHNUAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clofbnzr" ;
skos:prefLabel "clofibrinezuur"@nl .
csc:FBQQHUGEACOBDN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17109 ;
dbo:casNumber "113535-72-1" , "2439-01-2" , "85188-88-1" ;
dbo:formula "C10H6N2OS2" ;
dbo:inchi "InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3" ;
dbo:iupacName "7-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one"@en ;
dbo:pubchem "17109"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3" ;
dbp:inchikey "InChIKey=FBQQHUGEACOBDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinmtont" ;
skos:prefLabel "quinomethionaat"@nl .
csc:CHEMONTID_0003030
skos:narrower csc:VAHKBZSAUKPEOV-UHFFFAOYSA-N , csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N , csc:KQBFUDNJKCZEDQ-UHFFFAOYSA-N , csc:ALDJIKXAHSDLLB-UHFFFAOYSA-N , csc:HHXNVASVVVNNDG-UHFFFAOYSA-N , csc:TULCXSBAPHCWCF-UHFFFAOYSA-N , csc:BQFCCUSDZLKBJG-UHFFFAOYSA-N , csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N , csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N , csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N , csc:MTCPZNVSDFCBBE-UHFFFAOYSA-N , csc:SXHLTVKPNQVZGL-UHFFFAOYSA-N , csc:ARXHIJMGSIYYRZ-UHFFFAOYSA-N , csc:PYZHTHZEHQHHEN-UHFFFAOYSA-N , csc:LMQJBFRGXHMNOX-UHFFFAOYSA-N , csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N , csc:WEJZHZJJXPXXMU-UHFFFAOYSA-N , csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N , csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N , csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N , csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N , csc:RKLLTEAEZIJBAU-UHFFFAOYSA-N , csc:YKKYCYQDUUXNLN-UHFFFAOYSA-N , csc:ZAGRQXMWMRUYRB-UHFFFAOYSA-N , csc:ZWPVHELAQPIZHO-UHFFFAOYSA-N , csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N , csc:OKBJVIVEFXPEOU-UHFFFAOYSA-N , csc:TZMHVHLTPWKZCI-UHFFFAOYSA-N , csc:JDZUWXRNKHXZFE-UHFFFAOYSA-N , csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N , csc:LAHWLEDBADHJGA-UHFFFAOYSA-N , csc:UNCGJRRROFURDV-UHFFFAOYSA-N , csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N , csc:KENZYIHFBRWMOD-UHFFFAOYSA-N , csc:ZKGSEEWIVLAUNH-UHFFFAOYSA-N , csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N , csc:KJBDZJFSYQUNJT-UHFFFAOYSA-N , csc:GXNNLIMMEXHBKV-UHFFFAOYSA-N , csc:LKHLFUVHHXCNJH-UHFFFAOYSA-N , csc:DCMURXAZTZQAFB-UHFFFAOYSA-N , csc:JAHJITLFJSDRCG-UHFFFAOYSA-N , csc:ZDLMBNHYTPHDLF-UHFFFAOYSA-N , csc:WBTMFEPLVQOWFI-UHFFFAOYSA-N , csc:JFIMDKGRGPNPRQ-UHFFFAOYSA-N , csc:HOPMUCXYRNOABF-UHFFFAOYSA-N , csc:ONXPZLFXDMAPRO-UHFFFAOYSA-N , csc:HGMYRFJAJNYBRX-UHFFFAOYSA-N , csc:QHZSDTDMQZPUKC-UHFFFAOYSA-N , csc:LJQOBQLZTUSEJA-UHFFFAOYSA-N , csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N , csc:UCLKLGIYGBLTSM-UHFFFAOYSA-N , csc:MTLMVEWEYZFYTH-UHFFFAOYSA-N , csc:LACXVZHAJMVESG-UHFFFAOYSA-N , csc:IYZWUWBAFUBNCH-UHFFFAOYSA-N , csc:WBHQEUPUMONIKF-UHFFFAOYSA-N , csc:DTMRKGRREZAYAP-UHFFFAOYSA-N , csc:CRCBRZBVCDKPGA-UHFFFAOYSA-N , csc:JZFZCLFEPXCRCA-UHFFFAOYSA-N , csc:IUYHQGMDSZOPDZ-UHFFFAOYSA-N , csc:BTAGRXWGMYTPBY-UHFFFAOYSA-N , csc:BTOCFTAWZMMTNB-UHFFFAOYSA-N , csc:ZQUPQXINXTWCQR-UHFFFAOYSA-N , csc:QORAVNMWUNPXAO-UHFFFAOYSA-N , csc:REHONNLQRWTIFF-UHFFFAOYSA-N , csc:UDMZPLROONOSEF-UHFFFAOYSA-N , csc:XUAWBXBYHDRROL-UHFFFAOYSA-N , csc:YGDPIDTZOQGPAX-UHFFFAOYSA-N , csc:TYEDCFVCFDKSBK-UHFFFAOYSA-N , csc:CKLLRBPBZLTGDJ-UHFFFAOYSA-N , csc:JPOPEORRMSDUIP-UHFFFAOYSA-N , csc:WCIBKXHMIXUQHK-UHFFFAOYSA-N , csc:IUTPYMGCWINGEY-UHFFFAOYSA-N , csc:WIDHRBRBACOVOY-UHFFFAOYSA-N , csc:CXOYNJAHPUASHN-UHFFFAOYSA-N , csc:VLLVVZDKBSYMCG-UHFFFAOYSA-N , csc:FXRXQYZZALWWGA-UHFFFAOYSA-N , csc:SXFLURRQRFKBNN-UHFFFAOYSA-N , csc:YFSLABAYQDPWPF-UHFFFAOYSA-N , csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N , csc:BQENMISTWGTJIJ-UHFFFAOYSA-N , csc:OPKYDBFRKPQCBS-UHFFFAOYSA-N , csc:ICOAEPDGFWLUTI-UHFFFAOYSA-N .
csc:IDYZIJYBMGIQMJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3229 ;
dbo:casNumber "74011-58-8" ;
dbo:formula "C15H17FN4O3" ;
dbo:inchi "InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)" ;
dbo:iupacName "1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid"@en ;
dbo:pubchem "3229"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O" ;
dbp:inchikey "InChIKey=IDYZIJYBMGIQMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enxcne" ;
skos:prefLabel "enoxacine"@nl .
csc:YRMLFORXOOIJDR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37829 ;
dbo:casNumber "37764-25-3" , "11140-95-7" ;
dbo:formula "C8H11Cl2NO" ;
dbo:inchi "InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2" ;
dbo:iupacName "2,2-dichloro-N,N-di(prop-2-enyl)acetamide"@en ;
dbo:pubchem "37829"^^xsd:int ;
dbo:smiles "C=CCN(CC=C)C(=O)C(Cl)Cl" ;
dbp:inchikey "InChIKey=YRMLFORXOOIJDR-UHFFFAOYSA-N" ;
skos:altLabel "n,n-diallyldichlooracetamide"@nl ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDalDClacAd" ;
skos:prefLabel "N,N-diallyldichlooracetamide"@nl .
csc:ZTWQZJLUUZHJGS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31412 ;
dbo:casNumber "39280-74-5" , "115685-46-6" , "128-66-5" , "12772-52-0" ;
dbo:formula "C24H12O2" ;
dbo:inchi "InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione"@en ;
dbo:pubchem "31412"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O" ;
dbp:inchikey "InChIKey=ZTWQZJLUUZHJGS-UHFFFAOYSA-N" ;
skos:altLabel "c.i. vat yellow 4"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "civyw4" ;
skos:prefLabel "C.I. Vat Yellow 4"@nl .
csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl ;
rdfs:seeAlso compound:7237 ;
dbo:casNumber "95-47-6" , "68411-84-7" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3" ;
dbo:iupacName "1,2-Dimethylbenzene"@en ;
dbo:pubchem "7237"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C" ;
dbp:inchikey "InChIKey=CTQNGGLPUBDAKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_001 , co:LUC_IV_011 ;
skos:altLabel "1,2-xyleen"@nl , "o-xyleen"@nl ;
skos:broader csc:CHEMONTID_0004210 ;
skos:exactMatch wise:CAS_95-47-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12xyln" ;
skos:prefLabel "ortho-xyleen"@nl ;
vcs:vmmParameterId "219"^^xsd:int .
csc:CHEMONTID_0001202
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001202 ;
skos:definition "Compounds containing the ester derivative of thiocarboxylic acid, with the general structure R-S-R' (R,R'=alkyl, aryl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001202" ;
skos:prefLabel "Thioethers"@en .
csc:XEEYBQQBJWHFJM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23925 ;
dbo:casNumber "8053-60-9" , "39344-71-3" , "129048-51-7" , "70884-35-4" , "14067-02-8" , "73135-38-3" , "7439-89-6" , "195161-83-2" , "199281-22-6" , "8011-79-8" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe" ;
dbo:iupacName "Iron"@en ;
dbo:pubchem "23925"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "InChIKey=XEEYBQQBJWHFJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7439-89-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe" ;
skos:prefLabel "ijzer"@nl ;
vcs:vmmParameterId "1935"^^xsd:int , "157"^^xsd:int , "158"^^xsd:int , "159"^^xsd:int .
csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:980 ;
dbo:casNumber "100-02-7" ;
dbo:formula "C6H5NO3" ;
dbo:inchi "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H" ;
dbo:iupacName "4-Nitrophenol"@en ;
dbo:pubchem "980"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=BTJIUGUIPKRLHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:exactMatch wise:CAS_100-02-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2Fol" ;
skos:prefLabel "4-nitrofenol"@nl ;
vcs:vmmParameterId "211"^^xsd:int .
csc:WDZACGWEPQLKOM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15462 ;
dbo:casNumber "1667-04-5" ;
dbo:formula "C9H11Cl" ;
dbo:inchi "InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3" ;
dbo:iupacName "2-CHLORO-1,3,5-TRIMETHYLBENZENE"@en ;
dbo:pubchem "15462"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)Cl)C" ;
dbp:inchikey "InChIKey=WDZACGWEPQLKOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClTC1yBen" ;
skos:prefLabel "chloortrimethylbenzeen"@nl .
csc:PBKONEOXTCPAFI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13 ;
dbo:casNumber "120-82-1" , "63697-18-7" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H" ;
dbo:iupacName "1,2,4-trichlorobenzene"@en ;
dbo:pubchem "13"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=PBKONEOXTCPAFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_120-82-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124TClBen" ;
skos:prefLabel "1,2,4-trichloorbenzeen"@nl ;
vcs:vmmParameterId "317"^^xsd:int .
csc:PESKGJQREUXSRR-JDIFZLMISA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92132 ;
dbo:casNumber "601-53-6" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "92132"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C" ;
dbp:inchikey "InChIKey=PESKGJQREUXSRR-JDIFZLMISA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5bcholet3on" ;
skos:prefLabel "5-beta-cholestan-3-one"@nl .
csc:DEDOPGXGGQYYMW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16653 ;
dbo:casNumber "2212-67-1" ;
dbo:formula "C9H17NOS" ;
dbo:inchi "InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3" ;
dbo:iupacName "S-Ethyl azepane-1-carbothioate"@en ;
dbo:pubchem "16653"^^xsd:int ;
dbo:smiles "CCSC(=O)N1CCCCCC1" ;
dbp:inchikey "InChIKey=DEDOPGXGGQYYMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000307 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "molnt" ;
skos:prefLabel "molinaat"@nl .
csc:OPKYDBFRKPQCBS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38014 ;
dbo:casNumber "38380-02-8" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38014"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OPKYDBFRKPQCBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB87" ;
skos:prefLabel "2,2',3,4,5'-pentachloorbifenyl"@nl .
csc:VEENJGZXVHKXNB-VOTSOKGWSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5371560 ;
dbo:casNumber "3735-78-2" , "141-66-2" ;
dbo:formula "C8H16NO5P" ;
dbo:inchi "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+" ;
dbo:iupacName "['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']"@en ;
dbo:pubchem "5371560"^^xsd:int ;
dbo:smiles "CC(=CC(=O)N(C)C)OP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=VEENJGZXVHKXNB-VOTSOKGWSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dctfs" ;
skos:prefLabel "dicrotofos"@nl .
csc:SDMSCIWHRZJSRN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29307 ;
dbo:casNumber "18854-01-8" ;
dbo:formula "C13H16NO4PS" ;
dbo:inchi "InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidenephosphorane"@en ;
dbo:pubchem "29307"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=SDMSCIWHRZJSRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ixtton" ;
skos:prefLabel "isoxathion"@nl .
csc:RROQIUMZODEXOR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33565 ;
dbo:casNumber "26644-46-2" , "36660-66-9" , "37273-84-0" ;
dbo:formula "C10H14Cl6N4O2" ;
dbo:inchi "InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)" ;
dbo:iupacName "N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide"@en ;
dbo:pubchem "33565"^^xsd:int ;
dbo:smiles "C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O" ;
dbp:inchikey "InChIKey=RROQIUMZODEXOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfrne" ;
skos:prefLabel "triforine"@nl .
csc:JVTAAEKCZFNVCJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:612 ;
dbo:casNumber "1715-99-7" , "50-21-5" , "598-82-3" , "152-36-3" , "10326-41-7" , "26100-51-6" , "31587-11-8" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)" ;
dbo:iupacName "2-hydroxypropanoic acid"@en ;
dbo:pubchem "612"^^xsd:int ;
dbo:smiles "CC(C(=O)O)O" ;
dbp:inchikey "InChIKey=JVTAAEKCZFNVCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001359 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melkzr" ;
skos:prefLabel "melkzuur"@nl .
csc:OTMSDBZUPAUEDD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6324 ;
dbo:casNumber "74-84-0" ;
dbo:formula "C2H6" ;
dbo:inchi "InChI=1S/C2H6/c1-2/h1-2H3" ;
dbo:iupacName "ETHANE"@en ;
dbo:pubchem "6324"^^xsd:int ;
dbo:smiles "CC" ;
dbp:inchikey "InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2a" ;
skos:prefLabel "ethaan"@nl .
csc:GVGYEFKIHJTNQZ-CLRIEMFWSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:442997 ;
dbo:casNumber "519-09-5" ;
dbo:formula "C16H19NO4" ;
dbo:inchi "InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1" ;
dbo:iupacName "(2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid"@en ;
dbo:pubchem "442997"^^xsd:int ;
dbo:smiles "CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O" ;
dbp:inchikey "InChIKey=GVGYEFKIHJTNQZ-CLRIEMFWSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyegnne" ;
skos:prefLabel "benzoylecgonine"@nl .
csc:CHEMONTID_0003969
skos:narrower csc:XTRDKALNCIHHNI-UHFFFAOYSA-N , csc:RUIFULUFLANOCI-UHFFFAOYSA-N , csc:RMBFBMJGBANMMK-UHFFFAOYSA-N , csc:KQRJATLINVYHEZ-UHFFFAOYSA-N , csc:INYDMNPNDHRJQJ-UHFFFAOYSA-N , csc:IEEJAAUSLQCGJH-UHFFFAOYSA-N , csc:GZJNBGYLANALSV-UHFFFAOYSA-N , csc:DYSXLQBUUOPLBB-UHFFFAOYSA-N .
csc:FBGJJTQNZVNEQU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69675 ;
dbo:casNumber "696-44-6" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3" ;
dbo:iupacName "N,3-Dimethylaniline"@en ;
dbo:pubchem "69675"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)NC" ;
dbp:inchikey "InChIKey=FBGJJTQNZVNEQU-UHFFFAOYSA-N" ;
skos:altLabel "n,3-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N3DC1yAn" ;
skos:prefLabel "N,3-dimethylaniline"@nl .
csc:RRKTZKIUPZVBMF-PLNGPGDESA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9649 ;
dbo:casNumber "357-57-3" , "70206-61-0" , "54193-32-7" , "193198-03-7" , "101324-32-7" ;
dbo:formula "C23H26N2O4" ;
dbo:inchi "InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1" ;
dbo:iupacName "(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one"@en ;
dbo:pubchem "9649"^^xsd:int ;
dbo:smiles "COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC" ;
dbp:inchikey "InChIKey=RRKTZKIUPZVBMF-PLNGPGDESA-N" ;
skos:broader csc:CHEMONTID_0002749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brucne" ;
skos:prefLabel "brucine"@nl .
csc:JOFDPSBOUCXJCC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92363 ;
dbo:casNumber "60397-77-5" ;
dbo:formula "C9H11NO" ;
dbo:inchi "InChI=1S/C9H11NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-6H,1-2H3,(H,10,11)" ;
dbo:iupacName "N-(2,4-dimethylphenyl)formamide"@en ;
dbo:pubchem "92363"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NC=O)C" ;
dbp:inchikey "InChIKey=JOFDPSBOUCXJCC-UHFFFAOYSA-N" ;
skos:altLabel "N-(2,4-dimethylfenyl)formamide"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N24DC1yFyfAd" ;
skos:prefLabel "n-(2,4-dimethylfenyl)formamide"@nl .
csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37499 ;
dbo:casNumber "36643-28-4" ;
dbo:formula "C12H27Sn+" ;
dbo:inchi "InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1" ;
dbo:iupacName "tributylstannanylium"@en ;
dbo:pubchem "37499"^^xsd:int ;
dbo:smiles "CCCC[Sn+](CCCC)CCCC" ;
dbp:inchikey "InChIKey=LSKGFBJLYWXIOF-UHFFFAOYSA-N" ;
skos:altLabel "tributyltin (kation)"@nl ;
skos:broader csc:CHEMONTID_0004072 ;
skos:exactMatch wise:CAS_36643-28-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4ySn" ;
skos:prefLabel "tributyltin"@nl ;
vcs:vmmParameterId "670"^^xsd:int .
csc:SPURMHFLEKVAAS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74138 ;
dbo:casNumber "29730-67-4" , "93924-10-8" , "1599-67-3" ;
dbo:formula "C22H44" ;
dbo:inchi "InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3" ;
dbo:iupacName "docos-1-ene"@en ;
dbo:pubchem "74138"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC=C" ;
dbp:inchikey "InChIKey=SPURMHFLEKVAAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C22e" ;
skos:prefLabel "1-docoseen"@nl .
csc:VREFGVBLTWBCJP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2118 ;
dbo:casNumber "28981-97-7" ;
dbo:formula "C17H13ClN4" ;
dbo:inchi "InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3" ;
dbo:iupacName "8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine"@en ;
dbo:pubchem "2118"^^xsd:int ;
dbo:smiles "CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4" ;
dbp:inchikey "InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004226 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alpzlm" ;
skos:prefLabel "alprazolam"@nl .
csc:BLXVTZPGEOGTGG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24773 ;
dbo:casNumber "9016-45-9" , "20427-84-3" ;
dbo:formula "C19H32O3" ;
dbo:inchi "InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3" ;
dbo:iupacName "2-[2-(4-Nonylphenoxy)ethoxy]ethanol"@en ;
dbo:pubchem "24773"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)OCCOCCO" ;
dbp:inchikey "InChIKey=BLXVTZPGEOGTGG-UHFFFAOYSA-N" ;
skos:altLabel "nonylfenolmonoethoxylaat"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO1" , "224C9yfOxC2o" ;
skos:prefLabel "2-(2-(4-nonylfenoxy)ethoxy)ethanol"@nl .
csc:SSIMHHUMYMHNID-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:35684 ;
dbo:casNumber "35421-08-0" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2" ;
dbo:iupacName "4-(chloromethyl)phenol"@en ;
dbo:pubchem "35684"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CCl)O" ;
dbp:inchikey "InChIKey=SSIMHHUMYMHNID-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003980 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pClmcsl" ;
skos:prefLabel "p-chloor-m-cresol"@nl .
csc:IZLVFLOBTPURLP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76738 ;
dbo:casNumber "3251-56-7" ;
dbo:formula "C7H7NO4" ;
dbo:inchi "InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3" ;
dbo:iupacName "2-Methoxy-4-nitrophenol"@en ;
dbo:pubchem "76738"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=IZLVFLOBTPURLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox4NO2Fol" ;
skos:prefLabel "2-methoxy-4-nitrofenol"@nl .
csc:BQOFWKZOCNGFEC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26049 ;
dbo:casNumber "13466-78-9" , "74806-04-5" , "116783-27-8" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" ;
dbo:iupacName "3,7,7-trimethylbicyclo[4.1.0]hept-3-ene"@en ;
dbo:pubchem "26049"^^xsd:int ;
dbo:smiles "CC1=CCC2C(C1)C2(C)C" ;
dbp:inchikey "InChIKey=BQOFWKZOCNGFEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3carn" ;
skos:prefLabel "3-careen"@nl .
csc:XEVRDFDBXJMZFG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73948 ;
dbo:casNumber "497-18-7" ;
dbo:formula "CH6N4O" ;
dbo:inchi "InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)" ;
dbo:iupacName "1,3-Diaminourea"@en ;
dbo:pubchem "73948"^^xsd:int ;
dbo:smiles "C(=O)(NN)NN" ;
dbp:inchikey "InChIKey=XEVRDFDBXJMZFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002464 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbhdzde" ;
skos:prefLabel "carbohydrazide"@nl .
csc:CHEMONTID_0000033
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000033 ;
skos:definition "Organic compounds containing the phenylmethanol substructure."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WVDDGKGOMKODPV-UHFFFAOYSA-N , csc:NDAUXUAQIAJITI-UHFFFAOYSA-N , csc:KKWHDMUCBWSKGL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000033" ;
skos:prefLabel "Benzyl alcohols"@en .
csc:CHEMONTID_0001658
skos:narrower csc:BGRWYDHXPHLNKA-UHFFFAOYSA-N , csc:AIKKULXCBHRFOS-UHFFFAOYSA-N .
csc:VFWCMGCRMGJXDK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8005 ;
dbo:casNumber "109-69-3" ;
dbo:formula "C4H9Cl" ;
dbo:inchi "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3" ;
dbo:iupacName "1-Chlorobutane"@en ;
dbo:pubchem "8005"^^xsd:int ;
dbo:smiles "CCCCCl" ;
dbp:inchikey "InChIKey=VFWCMGCRMGJXDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC4a" ;
skos:prefLabel "1-chloorbutaan"@nl .
csc:UFFBMTHBGFGIHF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6896 ;
dbo:casNumber "87-62-7" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,6-Dimethylaniline"@en ;
dbo:pubchem "6896"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N" ;
dbp:inchikey "InChIKey=UFFBMTHBGFGIHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26xyldne" ;
skos:prefLabel "2,6-xylidine"@nl .
csc:OISVCGZHLKNMSJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7937 ;
dbo:casNumber "108-48-5" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3" ;
dbo:iupacName "2,6-Dimethylpyridine"@en ;
dbo:pubchem "7937"^^xsd:int ;
dbo:smiles "CC1=NC(=CC=C1)C" ;
dbp:inchikey "InChIKey=OISVCGZHLKNMSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yprdne" ;
skos:prefLabel "2,6-dimethylpyridine"@nl .
csc:RQNWIZPPADIBDY-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335515 ;
dbo:casNumber "14304-78-0" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As/i1-1" ;
dbo:iupacName "arsenic-74"@en ;
dbo:pubchem "6335515"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "InChIKey=RQNWIZPPADIBDY-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As74" ;
skos:prefLabel "arseen 74"@nl .
csc:DBMJMQXJHONAFJ-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9028 ;
dbo:casNumber "12738-53-3" , "1334-67-4" , "74433-77-5" , "12765-21-8" , "111726-87-5" , "58640-35-0" , "121481-64-9" , "61711-39-5" , "51222-39-0" , "1335-72-4" , "129203-37-8" , "8012-56-4" , "151-21-3" , "64441-33-4" , "152155-52-7" , "57176-54-2" ;
dbo:formula "C12H25NaO4S" ;
dbo:inchi "InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1" ;
dbo:iupacName "Sodium dodecyl sulfate"@en ;
dbo:pubchem "9028"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=DBMJMQXJHONAFJ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaLySO4" ;
skos:prefLabel "natriumlaurylsulfaat"@nl .
csc:OWTFKEBRIAXSMO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:544 ;
dbo:casNumber "15502-74-6" , "11118-55-1" ;
dbo:formula "AsO3-3" ;
dbo:inchi "InChI=1S/AsO3/c2-1(3)4/q-3" ;
dbo:iupacName "arsorite"@en ;
dbo:pubchem "544"^^xsd:int ;
dbo:smiles "[O-][As]([O-])[O-]" ;
dbp:inchikey "InChIKey=OWTFKEBRIAXSMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001475 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsO2" ;
skos:prefLabel "arseniet"@nl .
csc:KGBXLFKZBHKPEV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7628 ;
dbo:casNumber "11113-50-1" , "11129-12-7" , "13813-79-1" , "10043-35-3" , "13460-50-9" , "12795-04-9" ;
dbo:formula "BH3O3" ;
dbo:inchi "InChI=1S/BH3O3/c2-1(3)4/h2-4H" ;
dbo:iupacName "Boric acid"@en ;
dbo:pubchem "7628"^^xsd:int ;
dbo:smiles "B(O)(O)O" ;
dbp:inchikey "InChIKey=KGBXLFKZBHKPEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "boorzr" ;
skos:prefLabel "boorzuur"@nl .
csc:AKLOLDQYWQAREW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11348 ;
dbo:casNumber "577-71-9" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H" ;
dbo:iupacName "3,4-DINITROPHENOL"@en ;
dbo:pubchem "11348"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=AKLOLDQYWQAREW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DNO2Fol" ;
skos:prefLabel "3,4-dinitrofenol"@nl .
csc:UWFYSQMTEOIJJG-FDTZYFLXSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9880 ;
dbo:casNumber "427-51-0" ;
dbo:formula "C24H29ClO4" ;
dbo:inchi "InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1" ;
dbo:iupacName "[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate"@en ;
dbo:pubchem "9880"^^xsd:int ;
dbo:smiles "CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C" ;
dbp:inchikey "InChIKey=UWFYSQMTEOIJJG-FDTZYFLXSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyptractt" ;
skos:prefLabel "cyproteronacetaat"@nl .
csc:CHEMONTID_0002323
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002323 ;
skos:definition "Heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UELITFHSCLAHKR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002323" ;
skos:prefLabel "Benzothiadiazoles"@en .
csc:TXVHTIQJNYSSKO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9128 ;
dbo:casNumber "73467-76-2" , "192-97-2" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H" ;
dbo:iupacName "benzo[e]pyrene"@en ;
dbo:pubchem "9128"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4" ;
dbp:inchikey "InChIKey=TXVHTIQJNYSSKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_192-97-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BeP" ;
skos:prefLabel "benzo(e)pyreen"@nl ;
vcs:vmmParameterId "796"^^xsd:int .
csc:JJWKPURADFRFRB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10039 ;
dbo:casNumber "463-58-1" , "20684-88-2" ;
dbo:formula "COS" ;
dbo:inchi "InChI=1S/COS/c2-1-3" ;
dbo:iupacName "sulfanylidenemethanone"@en ;
dbo:pubchem "10039"^^xsd:int ;
dbo:smiles "C(=O)=S" ;
dbp:inchikey "InChIKey=JJWKPURADFRFRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000004 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbnS" ;
skos:prefLabel "carbonylsulfide"@nl .
csc:QCWXDVFBZVHKLV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7390 ;
dbo:casNumber "98-51-1" ;
dbo:formula "C11H16" ;
dbo:inchi "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3" ;
dbo:iupacName "1-tert-Butyl-4-methylbenzene"@en ;
dbo:pubchem "7390"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C(C)(C)C" ;
dbp:inchikey "InChIKey=QCWXDVFBZVHKLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pttC4yTol" ;
skos:prefLabel "p-tertiair-butyltolueen"@nl .
csc:YUKQRDCYNOVPGJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6117 ;
dbo:casNumber "1482-80-0" , "62-55-5" ;
dbo:formula "C2H5NS" ;
dbo:inchi "InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)" ;
dbo:iupacName "Ethanethioamide"@en ;
dbo:pubchem "6117"^^xsd:int ;
dbo:smiles "CC(=N)S" ;
dbp:inchikey "InChIKey=YUKQRDCYNOVPGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000510 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toacAd" ;
skos:prefLabel "thioacetamide"@nl .
csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5460467 ;
dbo:casNumber "7440-41-7" ;
dbo:formula "Be" ;
dbo:inchi "InChI=1S/Be" ;
dbo:iupacName "BERYLLIUM"@en ;
dbo:pubchem "5460467"^^xsd:int ;
dbo:smiles "[Be]" ;
dbp:inchikey "InChIKey=ATBAMAFKBVZNFJ-UHFFFAOYSA-N" ;
skos:altLabel "berylium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-41-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Be" ;
skos:prefLabel "beryllium"@nl ;
vcs:vmmParameterId "1923"^^xsd:int , "141"^^xsd:int , "143"^^xsd:int , "142"^^xsd:int .
csc:CHEMONTID_0001722
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001722 ;
skos:definition "Ester derivatives of a fatty alcohol."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SSDSCDGVMJFTEQ-UHFFFAOYSA-N , csc:CMOYPQWMTBSLJK-KAMYIIQDSA-N , csc:YLYBTZIQSIBWLI-UHFFFAOYSA-N , csc:OIZXRZCQJDXPFO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001722" ;
skos:prefLabel "Fatty alcohol esters"@en .
csc:CUJJSLYROAWARJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16775 ;
dbo:casNumber "2275-23-2" ;
dbo:formula "C8H18NO4PS2" ;
dbo:inchi "InChI=1S/C8H18NO4PS2/c1-9-8(10)4-5-15-6-7-16-14(11,12-2)13-3/h4-7H2,1-3H3,(H,9,10)" ;
dbo:iupacName "3-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide"@en ;
dbo:pubchem "16775"^^xsd:int ;
dbo:smiles "CNC(=O)CCSCCSP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=CUJJSLYROAWARJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001663 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vamdton" ;
skos:prefLabel "vamidothion"@nl .
csc:RONFGUROBZGJKP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3526 ;
dbo:casNumber "79956-56-2" , "13516-27-3" , "108173-90-6" ;
dbo:formula "C18H41N7" ;
dbo:inchi "InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)" ;
dbo:iupacName "2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine"@en ;
dbo:pubchem "3526"^^xsd:int ;
dbo:smiles "C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N" ;
dbp:inchikey "InChIKey=RONFGUROBZGJKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "guaztne" ;
skos:prefLabel "guazatine"@nl .
csc:FJBFPHVGVWTDIP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3024 ;
dbo:casNumber "74-95-3" , "4371-77-1" ;
dbo:formula "CH2Br2" ;
dbo:inchi "InChI=1S/CH2Br2/c2-1-3/h1H2" ;
dbo:iupacName "Dibromomethane"@en ;
dbo:pubchem "3024"^^xsd:int ;
dbo:smiles "C(Br)Br" ;
dbp:inchikey "InChIKey=FJBFPHVGVWTDIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-95-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrC1a" ;
skos:prefLabel "dibroommethaan"@nl ;
vcs:vmmParameterId "545"^^xsd:int .
csc:CHEMONTID_0000012
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000012 ;
skos:definition "Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000012" ;
skos:prefLabel "Lipids and lipid-like molecules"@en .
csc:STMIIPIFODONDC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66461 ;
dbo:casNumber "79983-71-4" ;
dbo:formula "C14H17Cl2N3O" ;
dbo:inchi "InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3" ;
dbo:iupacName "2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol"@en ;
dbo:pubchem "66461"^^xsd:int ;
dbo:smiles "CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O" ;
dbp:inchikey "InChIKey=STMIIPIFODONDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxcnzl" ;
skos:prefLabel "hexaconazool"@nl .
csc:VOXZDWNPVJITMN-ZZEXBNFBSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10596 ;
dbo:casNumber "517-04-4" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15-,16?,17-,18?/m0/s1" ;
dbo:iupacName "(8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "10596"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=VOXZDWNPVJITMN-ZZEXBNFBSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8aestDol" ;
skos:prefLabel "8alpha-estradiol"@nl .
csc:CHEMONTID_0002864
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002864 ;
skos:definition "Vinyl halides in which a bromine atom is bonded to an sp2-hybridised carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OZVJKTHTULCNHB-UHFFFAOYSA-N , csc:INLLPKCGLOXCIV-UHFFFAOYSA-N , csc:UWTUEMKLYAGTNQ-OWOJBTEDSA-N , csc:UWTUEMKLYAGTNQ-UPHRSURJSA-N ;
skos:notation "CHEMONTID:0002864" ;
skos:prefLabel "Vinyl bromides"@en .
csc:MIVUDWFNUOXEJM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10738 ;
dbo:casNumber "530-50-7" , "530-47-2" ;
dbo:formula "C12H13ClN2" ;
dbo:inchi "InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H" ;
dbo:iupacName "1,1-Diphenylhydrazine hydrochloride"@en ;
dbo:pubchem "10738"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl" ;
dbp:inchikey "InChIKey=MIVUDWFNUOXEJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DFydzne" ;
skos:prefLabel "1,1-difenylhydrazine"@nl .
csc:DJBNUMBKLMJRSA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3356 ;
dbo:casNumber "54143-55-4" , "99495-87-1" ;
dbo:formula "C17H20F6N2O3" ;
dbo:inchi "InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)" ;
dbo:iupacName "N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide"@en ;
dbo:pubchem "3356"^^xsd:int ;
dbo:smiles "C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F" ;
dbp:inchikey "InChIKey=DJBNUMBKLMJRSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000178 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flecinde" ;
skos:prefLabel "flecainide"@nl .
csc:XBDQKXXYIPTUBI-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104745 ;
dbo:casNumber "72-03-7" ;
dbo:formula "C3H5O2-" ;
dbo:inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1" ;
dbo:iupacName "propanoate"@en ;
dbo:pubchem "104745"^^xsd:int ;
dbo:smiles "CCC(=O)[O-]" ;
dbp:inchikey "InChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propont" ;
skos:prefLabel "propionaat"@nl .
csc:CFCRODHVHXGTPC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3018866 ;
dbo:casNumber "79780-39-5" ;
dbo:formula "C12HF25O3S" ;
dbo:inchi "InChI=1S/C12HF25O3S/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40/h(H,38,39,40)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonic acid"@en ;
dbo:pubchem "3018866"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=CFCRODHVHXGTPC-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-dodecaansulfonzuur (pfdods)"@nl , "perfluordodecaansulfonzuur (pfdods)"@nl , "perfluor-n-dodecaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDoAS" ;
skos:prefLabel "perfluordodecaansulfonzuur"@nl .
csc:HGLDOAKPQXAFKI-YPZZEJLDSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105176 ;
dbo:casNumber "15237-97-5" ;
dbo:formula "Cf" ;
dbo:inchi "InChI=1S/Cf/i1-2" ;
dbo:iupacName "californium-249"@en ;
dbo:pubchem "105176"^^xsd:int ;
dbo:smiles "[Cf]" ;
dbp:inchikey "InChIKey=HGLDOAKPQXAFKI-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cf249" ;
skos:prefLabel "californium 249"@nl .
csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38251 ;
dbo:casNumber "39227-28-6" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H" ;
dbo:iupacName "1,2,3,4,7,8-hexachlorooxanthrene"@en ;
dbo:pubchem "38251"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WCYYQNSQJHPVMG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,7,8-hexachloordibenzo-p-dioxine"@nl , "1,2,3,4,7,8-hexachloordibenzo-para-dioxine"@nl , " 1,2,3,4,7,8-hexachloordibenzodioxine"@nl , "1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_39227-28-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD66" ;
skos:prefLabel "1,2,3,4,7,8-hexachloordibenzodioxine"@nl ;
vcs:vmmParameterId "1248"^^xsd:int .
csc:ZOKXUAHZSKEQSS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5125 ;
dbo:casNumber "78-48-8" ;
dbo:formula "C12H27OPS3" ;
dbo:inchi "InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "1-bis(butylsulfanyl)phosphorylsulfanylbutane"@en ;
dbo:pubchem "5125"^^xsd:int ;
dbo:smiles "CCCCSP(=O)(SCCCC)SCCCC" ;
dbp:inchikey "InChIKey=ZOKXUAHZSKEQSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yTtoPO4" ;
skos:prefLabel "tributyltrithiofosfaat"@nl .
csc:CHEMONTID_0000553
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000553 ;
skos:definition "Inorganic compounds of nitrogen where nitrogen has a formal oxidation state of −3, and the heaviest atom bonded to it belongs to the class of 'other non-metals'."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N , csc:IJGRMHOSHXDMSA-UHFFFAOYSA-N , csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000553" ;
skos:prefLabel "Other non-metal nitrides"@en .
csc:BFIMMTCNYPIMRN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10695 ;
dbo:casNumber "527-53-7" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3" ;
dbo:iupacName "1,2,3,5-Tetramethylbenzene"@en ;
dbo:pubchem "10695"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)C)C" ;
dbp:inchikey "InChIKey=BFIMMTCNYPIMRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4C1yBen" ;
skos:prefLabel "1,2,3,5-tetramethylbenzeen"@nl .
csc:ZGLBGXHBFHCOAF-NBVRZTHBSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5372015 ;
dbo:casNumber "12227-01-9" , "12238-70-9" , "66057-65-6" , "2832-40-8" ;
dbo:formula "C15H15N3O2" ;
dbo:inchi "InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,17H,1-2H3,(H,16,19)/b18-14+" ;
dbo:iupacName "['N-[4-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide', 'N-[4-[2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide']"@en ;
dbo:pubchem "5372015"^^xsd:int ;
dbo:smiles "CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1" ;
dbp:inchikey "InChIKey=ZGLBGXHBFHCOAF-NBVRZTHBSA-N" ;
skos:altLabel "c.i. disperse yellow 3"@nl ;
skos:broader csc:CHEMONTID_0001846 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidyw3" ;
skos:prefLabel "C.I. Disperse Yellow 3"@nl .
csc:ZNNLBTZKUZBEKO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3488 ;
dbo:casNumber "10238-21-8" ;
dbo:formula "C23H28ClN3O5S" ;
dbo:inchi "InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)" ;
dbo:iupacName "5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide"@en ;
dbo:pubchem "3488"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3" ;
dbp:inchikey "InChIKey=ZNNLBTZKUZBEKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glibcmde" ;
skos:prefLabel "glibenclamide"@nl .
csc:UDIPTWFVPPPURJ-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8751 ;
dbo:casNumber "139-05-9" , "53170-91-5" , "61373-78-2" ;
dbo:formula "C6H12NNaO3S" ;
dbo:inchi "InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1" ;
dbo:iupacName "Sodium N-cyclohexylsulfamate"@en ;
dbo:pubchem "8751"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=UDIPTWFVPPPURJ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naccmt" ;
skos:prefLabel "natriumcyclamaat"@nl .
csc:QFUSCYRJMXLNRB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:69070 ;
dbo:casNumber "606-22-4" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2" ;
dbo:iupacName "2,6-Dinitroaniline"@en ;
dbo:pubchem "69070"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QFUSCYRJMXLNRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2An" ;
skos:prefLabel "2,6-dinitroaniline"@nl .
csc:NUVBSKCKDOMJSU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8434 ;
dbo:casNumber "120-47-8" ;
dbo:formula "C9H10O3" ;
dbo:inchi "InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3" ;
dbo:iupacName "Ethyl 4-hydroxybenzoate"@en ;
dbo:pubchem "8434"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=NUVBSKCKDOMJSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y4HOxbzat" ;
skos:prefLabel "ethyl-4-hydroxybenzoaat"@nl .
csc:ZRWWEEVEIOGMMT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2555 ;
dbo:casNumber "36507-30-9" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)" ;
dbo:iupacName "3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide"@en ;
dbo:pubchem "2555"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N" ;
dbp:inchikey "InChIKey=ZRWWEEVEIOGMMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbmzpn1011" ;
skos:prefLabel "carbamazepine 10,11-epoxide"@nl .
csc:CHEMONTID_0004671
skos:narrower csc:QFMJFXFXQAFGBO-UHFFFAOYSA-N , csc:OSAYFGJUEOYRHY-UHFFFAOYSA-N , csc:NIPDVSLAMPAWTP-UHFFFAOYSA-N , csc:IZLVFLOBTPURLP-UHFFFAOYSA-N .
csc:JDEJGVSZUIJWBM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11869 ;
dbo:casNumber "29256-93-7" , "609-72-3" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,2-Trimethylaniline"@en ;
dbo:pubchem "11869"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N(C)C" ;
dbp:inchikey "InChIKey=JDEJGVSZUIJWBM-UHFFFAOYSA-N" ;
skos:altLabel "n,n,2-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN2TC1yAn" ;
skos:prefLabel "N,N,2-trimethylaniline"@nl .
csc:ISERORSDFSDMDV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91627 ;
dbo:casNumber "38725-95-0" ;
dbo:formula "C14H18ClNO3" ;
dbo:inchi "InChI=1S/C14H18ClNO3/c1-3-10-6-5-7-11(4-2)14(10)16(9-13(18)19)12(17)8-15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)" ;
dbo:iupacName "2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid"@en ;
dbo:pubchem "91627"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl" ;
dbp:inchikey "InChIKey=ISERORSDFSDMDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002402 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dettl" ;
skos:prefLabel "diethatyl"@nl .
csc:VEORPZCZECFIRK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6618 ;
dbo:casNumber "7300-23-4" , "26446-62-8" , "25639-54-7" , "107719-55-1" , "110670-65-0" , "124779-54-0" , "108608-60-2" , "76341-26-9" , "51253-31-7" , "131891-38-8" , "79-94-7" , "30496-13-0" ;
dbo:formula "C15H12Br4O2" ;
dbo:inchi "InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3" ;
dbo:iupacName "2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol"@en ;
dbo:pubchem "6618"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br" ;
dbp:inchikey "InChIKey=VEORPZCZECFIRK-UHFFFAOYSA-N" ;
skos:altLabel "tetrabroombisfenol-a"@nl , "tetrabroombisfenol A"@nl ;
skos:broader csc:CHEMONTID_0000143 ;
skos:exactMatch wise:CAS_79-94-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4BrbFolA" ;
skos:prefLabel "tetrabroombisfenol a"@nl ;
vcs:vmmParameterId "940"^^xsd:int .
csc:SPSSULHKWOKEEL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8376 ;
dbo:casNumber "118-96-7" ;
dbo:formula "C7H5N3O6" ;
dbo:inchi "InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3" ;
dbo:iupacName "2-Methyl-1,3,5-trinitrobenzene"@en ;
dbo:pubchem "8376"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SPSSULHKWOKEEL-UHFFFAOYSA-N" ;
skos:altLabel "2,4,6-trinitrotolueen (TNT)"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TNT" ;
skos:prefLabel "2,4,6-trinitrotolueen (tnt)"@nl .
csc:IMEYSCIEAFLSQJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91669 ;
dbo:casNumber "60044-25-9" , "59080-37-4" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H" ;
dbo:iupacName "1,4-dibromo-2-(2,6-dibromophenyl)benzene"@en ;
dbo:pubchem "91669"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)C2=C(C=CC(=C2)Br)Br)Br" ;
dbp:inchikey "InChIKey=IMEYSCIEAFLSQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB52" ;
skos:prefLabel "2,2',4,4'-tetrabroombifenyl"@nl .
csc:OUNSASXJZHBGAI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19657 ;
dbo:casNumber "3811-49-2" , "90293-16-6" , "90293-10-0" ;
dbo:formula "C8H9O3PS" ;
dbo:inchi "InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3" ;
dbo:iupacName "8-methoxy-8-sulfanylidene-7,9-dioxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-triene"@en ;
dbo:pubchem "19657"^^xsd:int ;
dbo:smiles "COP1(=S)OCC2=CC=CC=C2O1" ;
dbp:inchikey "InChIKey=OUNSASXJZHBGAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DOxbzfs" ;
skos:prefLabel "dioxabenzofos"@nl .
csc:CHEMONTID_0002275
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002275 ;
skos:definition "Polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RJKGJBPXVHTNJL-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002275" ;
skos:prefLabel "Nitronaphthalenes"@en .
csc:CHEMONTID_0004024
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004024 ;
skos:definition "Compounds containing bond between a carbon atom and a lead atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004024" ;
skos:prefLabel "Organolead compounds"@en .
csc:QAOWNCQODCNURD-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1117 ;
dbo:casNumber "14808-79-8" , "18785-72-3" ;
dbo:formula "O4S-2" ;
dbo:inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" ;
dbo:iupacName "SULFATE"@en ;
dbo:pubchem "1117"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-]" ;
dbp:inchikey "InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L" ;
dct:isReferencedBy co:WAC_V_B_003 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SO4" ;
skos:prefLabel "sulfaat"@nl .
csc:ODINCKMPIJJUCX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14778 ;
dbo:casNumber "245321-52-2" , "104624-96-6" , "1305-78-8" , "60873-85-0" , "12610-14-9" ;
dbo:formula "CaO" ;
dbo:inchi "InChI=1S/Ca.O" ;
dbo:iupacName "oxocalcium"@en ;
dbo:pubchem "14778"^^xsd:int ;
dbo:smiles "O=[Ca]" ;
dbp:inchikey "InChIKey=ODINCKMPIJJUCX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000546 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaO" ;
skos:prefLabel "calciumoxide"@nl .
csc:PHNLCHMJDSSPDQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19099 ;
dbo:casNumber "3564-73-6" ;
dbo:formula "C15H14N2O" ;
dbo:inchi "InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)" ;
dbo:iupacName "5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "19099"^^xsd:int ;
dbo:smiles "C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N" ;
dbp:inchikey "InChIKey=PHNLCHMJDSSPDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1011DHcbmzpn" ;
skos:prefLabel "10,11-dihydroxycarbamazepine"@nl .
csc:SFBMPHLOQAKIBY-HXHCRBPZSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:140131 ;
dbo:casNumber "16732-84-6" ;
dbo:formula "C27H46" ;
dbo:inchi "InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21?,22?,23?,24+,25+,26?,27?/m1/s1" ;
dbo:iupacName "(9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene"@en ;
dbo:pubchem "140131"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC=C4)C)C" ;
dbp:inchikey "InChIKey=SFBMPHLOQAKIBY-HXHCRBPZSA-N" ;
skos:broader csc:CHEMONTID_0003566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chol3en" ;
skos:prefLabel "cholest-3-een"@nl .
csc:DSNHSQKRULAAEI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7734 ;
dbo:casNumber "105-05-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,4-DIETHYLBENZENE"@en ;
dbo:pubchem "7734"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)CC" ;
dbp:inchikey "InChIKey=DSNHSQKRULAAEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC2yBen" ;
skos:prefLabel "1,4-diethylbenzeen"@nl .
csc:YRIZYWQGELRKNT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6909 ;
dbo:casNumber "87-90-1" ;
dbo:formula "C3Cl3N3O3" ;
dbo:inchi "InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11" ;
dbo:iupacName "1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "6909"^^xsd:int ;
dbo:smiles "C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YRIZYWQGELRKNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TCliCNzr" ;
skos:prefLabel "trichloorisocyanuurzuur"@nl .
csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5870 ;
dbo:casNumber "37242-41-4" , "53-16-7" ;
dbo:formula "C18H22O2" ;
dbo:inchi "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one"@en ;
dbo:pubchem "5870"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_53-16-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oestn" ;
skos:prefLabel "oestron"@nl ;
vcs:vmmParameterId "969"^^xsd:int .
csc:PASDCCFISLVPSO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7412 ;
dbo:casNumber "98-88-4" ;
dbo:formula "C7H5ClO" ;
dbo:inchi "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "BENZOYL CHLORIDE"@en ;
dbo:pubchem "7412"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)Cl" ;
dbp:inchikey "InChIKey=PASDCCFISLVPSO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyCl" ;
skos:prefLabel "benzoylchloride"@nl .
csc:CHEMONTID_0003338
skos:narrower csc:ZIBGPFATKBEMQZ-UHFFFAOYSA-N , csc:XXSIKMDLPWYFIJ-UHFFFAOYSA-N , csc:XXPRRHYTDCWGRP-UHFFFAOYSA-N , csc:TWIMUEGVLWNOMO-UHFFFAOYSA-N , csc:JLGLQAWTXXGVEM-UHFFFAOYSA-N , csc:HRQQEXIVBZHHOQ-UHFFFAOYSA-N , csc:GDSSTYXBZTUGSJ-UHFFFAOYSA-N , csc:COBPKKZHLDDMTB-UHFFFAOYSA-N .
csc:LFVLUOAHQIVABZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28935 ;
dbo:casNumber "18181-70-9" ;
dbo:formula "C8H8Cl2IO3PS" ;
dbo:inchi "InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3" ;
dbo:iupacName "(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "28935"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl" ;
dbp:inchikey "InChIKey=LFVLUOAHQIVABZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jodffs" ;
skos:prefLabel "jodfenfos"@nl .
csc:OYPRJOBELJOOCE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5460341 ;
dbo:casNumber "7789-78-8" , "7440-70-2" , "8047-59-4" ;
dbo:formula "Ca" ;
dbo:inchi "InChI=1S/Ca" ;
dbo:iupacName "Calcium"@en ;
dbo:pubchem "5460341"^^xsd:int ;
dbo:smiles "[Ca]" ;
dbp:inchikey "InChIKey=OYPRJOBELJOOCE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_A_009 ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-70-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ca" ;
skos:prefLabel "calcium"@nl ;
vcs:vmmParameterId "2114"^^xsd:int , "1257"^^xsd:int , "985"^^xsd:int , "1925"^^xsd:int , "741"^^xsd:int .
csc:LQKWPGAPADIOSS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29218 ;
dbo:casNumber "18699-48-4" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" ;
dbo:iupacName "bis(2-methylpropyl) benzene-1,4-dicarboxylate"@en ;
dbo:pubchem "29218"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C" ;
dbp:inchikey "InChIKey=LQKWPGAPADIOSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terfzDiC4yEs" ;
skos:prefLabel "tereftaalzuur diisobutylester"@nl .
csc:CHEMONTID_0003964
skos:narrower csc:HPSCXFOQUFPEPE-UHFFFAOYSA-N , csc:GUYMMHOQXYZMJQ-UHFFFAOYSA-N , csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N , csc:CWOMTHDOJCARBY-UHFFFAOYSA-N , csc:HIHCTGNZNHSZPP-UHFFFAOYSA-N , csc:JJYPMNFTHPTTDI-UHFFFAOYSA-N , csc:CXNVOWPRHWWCQR-UHFFFAOYSA-N , csc:FBGJJTQNZVNEQU-UHFFFAOYSA-N , csc:RZXMPPFPUUCRFN-UHFFFAOYSA-N , csc:QCIFLGSATTWUQJ-UHFFFAOYSA-N , csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N , csc:JDEJGVSZUIJWBM-UHFFFAOYSA-N , csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N , csc:GYVGXEWAOAAJEU-UHFFFAOYSA-N , csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N , csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N , csc:WFNLHDJJZSJARK-UHFFFAOYSA-N , csc:GUAWMXYQZKVRCW-UHFFFAOYSA-N , csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N .
csc:ZIUSSTSXXLLKKK-KOBPDPAPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5281767 ;
dbo:casNumber "458-37-7" ;
dbo:formula "C21H20O6" ;
dbo:inchi "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-" ;
dbo:iupacName "['5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one', '(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one']"@en ;
dbo:pubchem "5281767"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C=CC(=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O)O" ;
dbp:inchikey "InChIKey=ZIUSSTSXXLLKKK-KOBPDPAPSA-N" ;
skos:broader csc:CHEMONTID_0000356 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "curcmn" ;
skos:prefLabel "curcumine"@nl .
csc:CHEMONTID_0001027
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001027 ;
skos:definition "Organic compounds containing the alkyl fluoride functional group with formula R-F , where R is an alkyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001027" ;
skos:prefLabel "Alkyl fluorides"@en .
csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:11443 ;
dbo:casNumber "26006-20-2" , "86-91-9" , "26471-62-5" , "584-84-9" , "1321-38-6" , "59539-76-3" ;
dbo:formula "C9H6N2O2" ;
dbo:inchi "InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3" ;
dbo:iupacName "2,4-Diisocyanato-1-methylbenzene"@en ;
dbo:pubchem "11443"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N=C=O)N=C=O" ;
dbp:inchikey "InChIKey=DVKJHBMWWAPEIU-UHFFFAOYSA-N" ;
skos:altLabel "2,4-tolueendiisocyanaat"@nl , "2,4-tolueendi-isocyanaat"@nl ;
skos:broader csc:CHEMONTID_0003983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24TolDiCN" ;
skos:prefLabel "2,4-tolueendi-isocyanaat "@nl .
csc:VWAMTBXLZPEDQO-FWEXOAGLSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23725090 ;
dbo:casNumber "145435-72-9" ;
dbo:formula "C40H76N2O12" ;
dbo:inchi "InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25?,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1" ;
dbo:iupacName "(2R,3S,4R,5S,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-propyl-1-oxa-7-azacyclopentadecan-15-one"@en ;
dbo:pubchem "23725090"^^xsd:int ;
dbo:smiles "CCCN1CC(C(C(C(OC(=O)C(C(C(C(C(CC1C)(C)O)OC2C(C(CC(O2)C)N(C)C)O)C)OC3CC(C(C(O3)C)O)(C)OC)C)CC)(C)O)O)C" ;
dbp:inchikey "InChIKey=VWAMTBXLZPEDQO-FWEXOAGLSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "gamithromycine"@nl .
csc:RDQSIADLBQFVMY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12867 ;
dbo:casNumber "719-22-2" ;
dbo:formula "C14H20O2" ;
dbo:inchi "InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3" ;
dbo:iupacName "2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "12867"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C" ;
dbp:inchikey "InChIKey=RDQSIADLBQFVMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4y14be" ;
skos:prefLabel "2,6-di-tert-butyl-1,4-benzochinon"@nl .
csc:RYXHOMYVWAEKHL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5460479 ;
dbo:casNumber "31665-25-5" , "7440-68-8" , "76971-83-0" ;
dbo:formula "At" ;
dbo:inchi "InChI=1S/At" ;
dbo:iupacName "astatine"@en ;
dbo:pubchem "5460479"^^xsd:int ;
dbo:smiles "[At]" ;
dbp:inchikey "InChIKey=RYXHOMYVWAEKHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "At" ;
skos:prefLabel "astatium"@nl .
csc:PMHURSZHKKJGBM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73672 ;
dbo:casNumber "82558-50-7" ;
dbo:formula "C18H24N2O4" ;
dbo:inchi "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)" ;
dbo:iupacName "2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide"@en ;
dbo:pubchem "73672"^^xsd:int ;
dbo:smiles "CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC" ;
dbp:inchikey "InChIKey=PMHURSZHKKJGBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "isxbn" ;
skos:prefLabel "isoxaben"@nl .
csc:KGVXVPRLBMWZLG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:116545 ;
dbo:casNumber "64118-84-9" ;
dbo:formula "C14H11Cl2NO3" ;
dbo:inchi "InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)" ;
dbo:iupacName "2-[2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl]acetic acid"@en ;
dbo:pubchem "116545"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl" ;
dbp:inchikey "InChIKey=KGVXVPRLBMWZLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HoxDcfnc" ;
skos:prefLabel "4'-hydroxydiclofenac"@nl .
csc:JBDHZKLJNAIJNC-LLVKDONJSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:92431 ;
dbo:casNumber "105512-06-9" , "126572-25-6" , "126301-94-8" ;
dbo:formula "C17H13ClFNO4" ;
dbo:inchi "InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1" ;
dbo:iupacName "prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "92431"^^xsd:int ;
dbo:smiles "CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F" ;
dbp:inchikey "InChIKey=JBDHZKLJNAIJNC-LLVKDONJSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clodnfppgl" ;
skos:prefLabel "clodinafop-propargyl"@nl .
csc:YKNWIILGEFFOPE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12406 ;
dbo:casNumber "629-99-2" ;
dbo:formula "C25H52" ;
dbo:inchi "InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3" ;
dbo:iupacName "PENTACOSANE"@en ;
dbo:pubchem "12406"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=YKNWIILGEFFOPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C25a" ;
skos:prefLabel "pentacosaan"@nl .
csc:CHEMONTID_0000426
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000426 ;
skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WUAPFZMCVAUBPE-UHFFFAOYSA-N , csc:PCHJSUWPFVWCPO-OUBTZVSYSA-N , csc:SIXSYDAISGFNSX-UHFFFAOYSA-N , csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N , csc:KJTLSVCANCCWHF-BKFZFHPZSA-N , csc:GUCVJGMIXFAOAE-UHFFFAOYSA-N , csc:GUTLYIVDDKVIGB-OUBTZVSYSA-N , csc:KJTLSVCANCCWHF-NJFSPNSNSA-N , csc:XEEYBQQBJWHFJM-UHFFFAOYSA-N , csc:PCHJSUWPFVWCPO-NJFSPNSNSA-N , csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N , csc:PWHULOQIROXLJO-BJUDXGSMSA-N , csc:WUAPFZMCVAUBPE-IGMARMGPSA-N , csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N , csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N , csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N , csc:KJTLSVCANCCWHF-UHFFFAOYSA-N , csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N , csc:BFGKITSFLPAWGI-UHFFFAOYSA-N , csc:GUCVJGMIXFAOAE-OUBTZVSYSA-N , csc:VTLYFUHAOXGGBS-UHFFFAOYSA-N , csc:GKLVYJBZJHMRIY-UHFFFAOYSA-N , csc:MHOVAHRLVXNVSD-UHFFFAOYSA-N , csc:GUVRBAGPIYLISA-OUBTZVSYSA-N , csc:GKLVYJBZJHMRIY-BJUDXGSMSA-N , csc:GUVRBAGPIYLISA-UHFFFAOYSA-N , csc:VWQVUPCCIRVNHF-BJUDXGSMSA-N , csc:PXHVJJICTQNCMI-UHFFFAOYSA-N , csc:QSHDDOUJBYECFT-NJFSPNSNSA-N , csc:GKLVYJBZJHMRIY-YPZZEJLDSA-N , csc:PCHJSUWPFVWCPO-UHFFFAOYSA-N , csc:WFKWXMTUELFFGS-UHFFFAOYSA-N , csc:SYQBFIAQOQZEGI-FTXFMUIASA-N , csc:PWHULOQIROXLJO-UHFFFAOYSA-N , csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N , csc:PWHULOQIROXLJO-OIOBTWANSA-N , csc:QCWXUUIWCKQGHC-RNFDNDRNSA-N , csc:ZOKXTWBITQBERF-UHFFFAOYSA-N , csc:XEEYBQQBJWHFJM-AKLPVKDBSA-N , csc:SYQBFIAQOQZEGI-UHFFFAOYSA-N , csc:GUTLYIVDDKVIGB-OIOBTWANSA-N , csc:GUTLYIVDDKVIGB-YPZZEJLDSA-N , csc:ZOKXTWBITQBERF-AKLPVKDBSA-N , csc:XEEYBQQBJWHFJM-BJUDXGSMSA-N , csc:VYZAMTAEIAYCRO-BJUDXGSMSA-N , csc:HCHKCACWOHOZIP-UHFFFAOYSA-N , csc:VWQVUPCCIRVNHF-UHFFFAOYSA-N , csc:CWYNVVGOOAEACU-UHFFFAOYSA-N , csc:GKOZUEZYRPOHIO-IGMARMGPSA-N , csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N , csc:GUTLYIVDDKVIGB-BJUDXGSMSA-N , csc:GKOZUEZYRPOHIO-YPZZEJLDSA-N , csc:KDLHZDBZIXYQEI-UHFFFAOYSA-N , csc:LEONUFNNVUYDNQ-OIOBTWANSA-N , csc:BASFCYQUMIYNBI-UHFFFAOYSA-N , csc:QCWXUUIWCKQGHC-UHFFFAOYSA-N , csc:SIXSYDAISGFNSX-OUBTZVSYSA-N , csc:WFKWXMTUELFFGS-OIOBTWANSA-N , csc:VWQVUPCCIRVNHF-NJFSPNSNSA-N , csc:GKLVYJBZJHMRIY-OUBTZVSYSA-N , csc:BDOSMKKIYDKNTQ-OIOBTWANSA-N , csc:BQCADISMDOOEFD-UHFFFAOYSA-N , csc:HCHKCACWOHOZIP-IGMARMGPSA-N , csc:BQCADISMDOOEFD-AKLPVKDBSA-N , csc:QSHDDOUJBYECFT-UHFFFAOYSA-N , csc:GKOZUEZYRPOHIO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000426" ;
skos:prefLabel "Homogeneous transition metal compounds"@en .
csc:CURUTKGFNZGFSE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3042 ;
dbo:casNumber "77-19-0" , "104959-55-9" ;
dbo:formula "C19H35NO2" ;
dbo:inchi "InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3" ;
dbo:iupacName "2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate"@en ;
dbo:pubchem "3042"^^xsd:int ;
dbo:smiles "CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2" ;
dbp:inchikey "InChIKey=CURUTKGFNZGFSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dccvrne" ;
skos:prefLabel "dicycloverine"@nl .
csc:ROKVVMOXSZIDEG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:42163 ;
dbo:casNumber "57213-69-1" ;
dbo:formula "C13H19Cl3N2O3" ;
dbo:inchi "InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3" ;
dbo:iupacName "N,N-diethylethanamine; 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "42163"^^xsd:int ;
dbo:smiles "CCN(CC)CC.C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl" ;
dbp:inchikey "InChIKey=ROKVVMOXSZIDEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yAeTcpr" ;
skos:prefLabel "triethylamine-triclopyr"@nl .
csc:VIXPKJNAOIWFMW-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9808235 ;
dbo:casNumber "70755-47-4" ;
dbo:formula "C34H72BrN" ;
dbo:inchi "InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dihexadecyl-dimethylazanium bromide"@en ;
dbo:pubchem "9808235"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "InChIKey=VIXPKJNAOIWFMW-UHFFFAOYSA-M" ;
skos:altLabel "dihexadecyldimethylammonium bromide"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC16yDC1yNH4" ;
skos:prefLabel "dihexadecyldimethylammonium"@nl .
csc:NQPDZGIKBAWPEJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7991 ;
dbo:casNumber "12124-87-7" , "109-52-4" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" ;
dbo:iupacName "Pentanoic acid"@en ;
dbo:pubchem "7991"^^xsd:int ;
dbo:smiles "CCCCC(=O)O" ;
dbp:inchikey "InChIKey=NQPDZGIKBAWPEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valrazr" ;
skos:prefLabel "valeriaanzuur"@nl .
csc:AJAKLDUGVSKVDG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:102459 ;
dbo:casNumber "645-72-7" ;
dbo:formula "C20H42O" ;
dbo:inchi "InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3" ;
dbo:iupacName "3,7,11,15-Tetramethylhexadecan-1-ol"@en ;
dbo:pubchem "102459"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)CCO" ;
dbp:inchikey "InChIKey=AJAKLDUGVSKVDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "371115T4C1y1" ;
skos:prefLabel "3,7,11,15-tetramethyl-1hexadecanol"@nl .
csc:VZRKEAFHFMSHCD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104150 ;
dbo:casNumber "52304-36-6" , "362607-57-6" ;
dbo:formula "C11H21NO3" ;
dbo:inchi "InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3" ;
dbo:iupacName "ethyl 3-(acetyl-butylamino)propanoate"@en ;
dbo:pubchem "104150"^^xsd:int ;
dbo:smiles "CCCCN(CCC(=O)OCC)C(=O)C" ;
dbp:inchikey "InChIKey=VZRKEAFHFMSHCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EBAAP" ;
skos:prefLabel "ethylbutylactetylaminopropionaat"@nl .
csc:MLFHJEHSLIIPHL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31276 ;
dbo:casNumber "123-92-2" , "29732-50-1" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3" ;
dbo:iupacName "3-Methylbutyl acetate"@en ;
dbo:pubchem "31276"^^xsd:int ;
dbo:smiles "CC(C)CCOC(=O)C" ;
dbp:inchikey "InChIKey=MLFHJEHSLIIPHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iamactt" ;
skos:prefLabel "iso-amylacetaat"@nl .
csc:QQODLKZGRKWIFG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104926 ;
dbo:casNumber "83855-46-3" , "68359-37-5" ;
dbo:formula "C22H18Cl2FNO3" ;
dbo:inchi "InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3" ;
dbo:iupacName "[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "104926"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=QQODLKZGRKWIFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyftn" ;
skos:prefLabel "cyfluthrin"@nl .
csc:JDSHMPZPIAZGSV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7955 ;
dbo:casNumber "94977-27-2" , "68379-55-5" , "67757-43-1" , "130392-03-9" , "70371-19-6" , "169314-62-9" , "504-18-7" , "65544-34-5" , "108-78-1" ;
dbo:formula "C3H6N6" ;
dbo:inchi "InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)" ;
dbo:iupacName "1,3,5-Triazine-2,4,6-triamine"@en ;
dbo:pubchem "7955"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)N)N)N" ;
dbp:inchikey "InChIKey=JDSHMPZPIAZGSV-UHFFFAOYSA-N" ;
skos:altLabel "1,3,5-Triazine-2,4,6-triamine (Melamine)"@nl ;
skos:broader csc:CHEMONTID_0004105 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135Tazn246TA" ;
skos:prefLabel "1,3,5-triazine-2,4,6-triamine"@nl .
csc:AEHJMNVBLRLZKK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11488729 ;
dbo:casNumber "179101-81-6" ;
dbo:formula "C18H14Cl4F3NO3" ;
dbo:inchi "InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2" ;
dbo:iupacName "2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine"@en ;
dbo:pubchem "11488729"^^xsd:int ;
dbo:smiles "C1=CC(=NC=C1C(F)(F)F)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=AEHJMNVBLRLZKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdll" ;
skos:prefLabel "pyridalyl"@nl .
csc:NAWDYIZEMPQZHO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23992 ;
dbo:casNumber "110424-81-2" , "7440-64-4" ;
dbo:formula "Yb" ;
dbo:inchi "InChI=1S/Yb" ;
dbo:iupacName "YTTERBIUM"@en ;
dbo:pubchem "23992"^^xsd:int ;
dbo:smiles "[Yb]" ;
dbp:inchikey "InChIKey=NAWDYIZEMPQZHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Yb" ;
skos:prefLabel "ytterbium"@nl .
csc:PGYPOBZJRVSMDS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:71420 ;
dbo:casNumber "34552-83-5" , "53179-11-6" ;
dbo:formula "C29H34Cl2N2O2" ;
dbo:inchi "InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H" ;
dbo:iupacName "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide hydrochloride"@en ;
dbo:pubchem "71420"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl" ;
dbp:inchikey "InChIKey=PGYPOBZJRVSMDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lopAd" ;
skos:prefLabel "loperamide"@nl .
csc:QQZOPKMRPOGIEB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11583 ;
dbo:casNumber "30637-87-7" , "591-78-6" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3" ;
dbo:iupacName "hexan-2-one"@en ;
dbo:pubchem "11583"^^xsd:int ;
dbo:smiles "CCCCC(=O)C" ;
dbp:inchikey "InChIKey=QQZOPKMRPOGIEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C6on" ;
skos:prefLabel "2-hexanon"@nl .
csc:CHEMONTID_0003460
skos:narrower csc:LJBNHONKIDIOPD-UHFFFAOYSA-N , csc:BUYMVQAILCEWRR-UHFFFAOYSA-N , csc:RXPQRKFMDQNODS-UHFFFAOYSA-N , csc:HQUQLFOMPYWACS-UHFFFAOYSA-N , csc:WTLBZVNBAKMVDP-UHFFFAOYSA-N , csc:WVLBCYQITXONBZ-UHFFFAOYSA-N , csc:STCOOQWBFONSKY-UHFFFAOYSA-N , csc:GTVWRXDRKAHEAD-UHFFFAOYSA-N , csc:HRKAMJBPFPHCSD-UHFFFAOYSA-N , csc:KVMPUXDNESXNOH-UHFFFAOYSA-N , csc:PQYJRMFWJJONBO-UHFFFAOYSA-N , csc:OXFUXNFMHFCELM-UHFFFAOYSA-N , csc:GTRSAMFYSUBAGN-UHFFFAOYSA-N , csc:DQWPFSLDHJDLRL-UHFFFAOYSA-N , csc:ASLWPAWFJZFCKF-UHFFFAOYSA-N , csc:BHYQWBKCXBXPKM-UHFFFAOYSA-N .
csc:MQVSLOYRCXQRPM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23943 ;
dbo:casNumber "7440-11-1" ;
dbo:formula "Md" ;
dbo:inchi "InChI=1S/Md" ;
dbo:iupacName "MENDELEVIUM"@en ;
dbo:pubchem "23943"^^xsd:int ;
dbo:smiles "[Md]" ;
dbp:inchikey "InChIKey=MQVSLOYRCXQRPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Md" ;
skos:prefLabel "mendelevium"@nl .
csc:VOZIAWLUULBIPN-DFYAAVTESA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436669 ;
dbo:casNumber "51596-11-3" ;
dbo:formula "C32H46O7" ;
dbo:inchi "InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19?,21?,24-,25+,26+,27?,28-,29-,31-,32-/m1/s1" ;
dbo:iupacName "(1R,4S,6R,8R,10E,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6436669"^^xsd:int ;
dbo:smiles "CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)C" ;
dbp:inchikey "InChIKey=VOZIAWLUULBIPN-DFYAAVTESA-N" ;
skos:altLabel "milbemycin a4"@nl ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "milbmcA4" ;
skos:prefLabel "milbemycin A4"@nl .
csc:NZOWVZVFSVRNOR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41735 ;
dbo:casNumber "56073-07-5" ;
dbo:formula "C31H24O3" ;
dbo:inchi "InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2" ;
dbo:iupacName "2-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one"@en ;
dbo:pubchem "41735"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6" ;
dbp:inchikey "InChIKey=NZOWVZVFSVRNOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfncm" ;
skos:prefLabel "difenacoum"@nl .
csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II Art. 5.7.1.4/ Art. 5.7.7.1/Art. 5.7.13.1"@nl , "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7855 ;
dbo:casNumber "29754-21-0" , "63908-52-1" , "107-13-1" ;
dbo:formula "C3H3N" ;
dbo:inchi "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2" ;
dbo:iupacName "prop-2-enenitrile"@en ;
dbo:pubchem "7855"^^xsd:int ;
dbo:smiles "C=CC#N" ;
dbp:inchikey "InChIKey=NLHHRLWOUZZQLW-UHFFFAOYSA-N" ;
skos:altLabel "acrylonitril"@nl ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_107-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aclntl" ;
skos:prefLabel "acrylonitrile"@nl ;
vcs:vmmParameterId "528"^^xsd:int .
csc:CHEMONTID_0000405
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000405 ;
skos:definition "Compounds containing bond between a carbon atom and an arsenic atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000405" ;
skos:prefLabel "Organoarsenic compounds"@en .
csc:VTRWMTJQBQJKQH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93486 ;
dbo:casNumber "88678-67-5" ;
dbo:formula "C18H22N2O2S" ;
dbo:inchi "InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3" ;
dbo:iupacName "O-(3-tert-butylphenyl) [(6-methoxypyridin-2-yl)-methylamino]methanethioate"@en ;
dbo:pubchem "93486"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=CC=C1)OC(=S)N(C)C2=NC(=CC=C2)OC" ;
dbp:inchikey "InChIKey=VTRWMTJQBQJKQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrbtcb" ;
skos:prefLabel "pyributicarb"@nl .
csc:CHEMONTID_0000399
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000399 ;
skos:definition "Compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZKGVLNVASIPVAU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000399" ;
skos:prefLabel "Phenylazides"@en .
csc:WEJZHZJJXPXXMU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36399 ;
dbo:casNumber "33284-50-3" ;
dbo:formula "C12H8Cl2" ;
dbo:inchi "InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H" ;
dbo:iupacName "2,4-dichloro-1-phenylbenzene"@en ;
dbo:pubchem "36399"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=WEJZHZJJXPXXMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,4-dichloorbifenyl (pcb 7)"@nl .
csc:YOYAIZYFCNQIRF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3031 ;
dbo:casNumber "1194-65-6" , "104809-79-2" ;
dbo:formula "C7H3Cl2N" ;
dbo:inchi "InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H" ;
dbo:iupacName "2,6-Dichlorobenzonitrile"@en ;
dbo:pubchem "3031"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C#N)Cl" ;
dbp:inchikey "InChIKey=YOYAIZYFCNQIRF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_1194-65-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcbnl" ;
skos:prefLabel "dichlobenil"@nl ;
vcs:vmmParameterId "1019"^^xsd:int .
csc:INISTDXBRIBGOC-XMMISQBUSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91768 ;
dbo:casNumber "102851-06-9" ;
dbo:formula "C26H22ClF3N2O3" ;
dbo:inchi "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate"@en ;
dbo:pubchem "91768"^^xsd:int ;
dbo:smiles "CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=INISTDXBRIBGOC-XMMISQBUSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "taufvlnt" ;
skos:prefLabel "tau-fluvalinaat"@nl .
csc:IGGUPRCHHJZPBS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12409 ;
dbo:casNumber "630-03-5" ;
dbo:formula "C29H60" ;
dbo:inchi "InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3" ;
dbo:iupacName "Nonacosane"@en ;
dbo:pubchem "12409"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=IGGUPRCHHJZPBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C29a" ;
skos:prefLabel "nonacosaan"@nl .
csc:OILXMJHPFNGGTO-BQYQJAHWSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5365965 ;
dbo:casNumber "17472-78-5" ;
dbo:formula "C28H46O" ;
dbo:inchi "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+" ;
dbo:iupacName "['17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol']"@en ;
dbo:pubchem "5365965"^^xsd:int ;
dbo:smiles "CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=OILXMJHPFNGGTO-BQYQJAHWSA-N" ;
skos:altLabel "(24S)-ergosta-5,22(E)-dien-3beta-ol"@nl ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24Segs522E-d" ;
skos:prefLabel "(24s)-ergosta-5,22(e)-dien-3beta-ol"@nl .
csc:HMSWAIKSFDFLKN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12407 ;
dbo:casNumber "630-01-3" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3" ;
dbo:iupacName "HEXACOSANE"@en ;
dbo:pubchem "12407"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=HMSWAIKSFDFLKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C26a" ;
skos:prefLabel "hexacosaan"@nl .
csc:CHEMONTID_0003922
skos:narrower csc:WRAGCBBWIYQMRF-UHFFFAOYSA-N .
csc:KRZUZYJEQBXUIN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50590 ;
dbo:casNumber "69581-33-5" ;
dbo:formula "C14H14ClNO3" ;
dbo:inchi "InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2" ;
dbo:iupacName "N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide"@en ;
dbo:pubchem "50590"^^xsd:int ;
dbo:smiles "C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl" ;
dbp:inchikey "InChIKey=KRZUZYJEQBXUIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypfrm" ;
skos:prefLabel "cyprofuram"@nl .
csc:KQPKPCNLIDLUMF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5193 ;
dbo:casNumber "76-73-3" , "29071-21-4" ;
dbo:formula "C12H18N2O3" ;
dbo:inchi "InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)" ;
dbo:iupacName "5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "5193"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C" ;
dbp:inchikey "InChIKey=KQPKPCNLIDLUMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secbbtl" ;
skos:prefLabel "secobarbital"@nl .
csc:CHEMONTID_0000463
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000463 ;
skos:definition "Organic compounds containing an oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000463" ;
skos:prefLabel "Organic oxoanionic compounds"@en .
csc:VILFVXYKHXVYAB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66707 ;
dbo:casNumber "92-41-1" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "Naphthalene-2,7-disulfonic acid"@en ;
dbo:pubchem "66707"^^xsd:int ;
dbo:smiles "C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=VILFVXYKHXVYAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf27Dsfzr" ;
skos:prefLabel "naftaleen-2,7-disulfonzuur"@nl .
csc:XJKKSYAVEVAGFX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43867 ;
dbo:casNumber "62016-34-6" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3" ;
dbo:iupacName "2,3,7-TRIMETHYLOCTANE"@en ;
dbo:pubchem "43867"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C(C)C" ;
dbp:inchikey "InChIKey=XJKKSYAVEVAGFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "237TC1yC8a" ;
skos:prefLabel "2,3,7-trimethyloctaan"@nl .
csc:UFEODZBUAFNAEU-NLRVBDNBSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11048796 ;
dbo:casNumber "361377-29-9" ;
dbo:formula "C21H16ClFN4O5" ;
dbo:inchi "InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+" ;
dbo:iupacName "1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine"@en ;
dbo:pubchem "11048796"^^xsd:int ;
dbo:smiles "CON=C(C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)C4=NOCCO4" ;
dbp:inchikey "InChIKey=UFEODZBUAFNAEU-NLRVBDNBSA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tfluoxsbn" ;
skos:prefLabel "trans-fluoxastrobin"@nl .
csc:RQOIAWYOVOXMST-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91782 ;
dbo:casNumber "168316-95-8" ;
dbo:formula "C42H71NO9" ;
dbo:inchi "InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3" ;
dbo:iupacName "15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-(2,3,4-trimethoxy-5-methylcyclohexyl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosane-13,21-dione"@en ;
dbo:pubchem "91782"^^xsd:int ;
dbo:smiles "CCC1CCCC(C(C(=O)C2CC3C(C2CC(=O)O1)CCC4C3CC(C4)OC5CC(C(C(C5OC)OC)OC)C)C)OC6CCC(C(O6)C)N(C)C" ;
dbp:inchikey "InChIKey=RQOIAWYOVOXMST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spinsd" ;
skos:prefLabel "spinosad"@nl .
csc:RKLLTEAEZIJBAU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36185 ;
dbo:casNumber "32598-10-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "36185"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RKLLTEAEZIJBAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB66" ;
skos:prefLabel "2,3,4,4-tetrachloorbifenyl"@nl .
csc:AIKKULXCBHRFOS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17345 ;
dbo:casNumber "2540-82-1" ;
dbo:formula "C6H12NO4PS2" ;
dbo:inchi "InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3" ;
dbo:iupacName "2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide"@en ;
dbo:pubchem "17345"^^xsd:int ;
dbo:smiles "CN(C=O)C(=O)CSP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=AIKKULXCBHRFOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001658 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formton" ;
skos:prefLabel "formothion"@nl .
csc:HCGFUIQPSOCUHI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7996 ;
dbo:casNumber "63992-09-6" , "109-59-1" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2-propan-2-yloxyethanol"@en ;
dbo:pubchem "7996"^^xsd:int ;
dbo:smiles "CC(C)OCCO" ;
dbp:inchikey "InChIKey=HCGFUIQPSOCUHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipropxC2ol" ;
skos:prefLabel "isopropoxyethanol"@nl .
csc:YOSHYTLCDANDAN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3749 ;
dbo:casNumber "138402-11-6" ;
dbo:formula "C25H28N6O" ;
dbo:inchi "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)" ;
dbo:iupacName "2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one"@en ;
dbo:pubchem "3749"^^xsd:int ;
dbo:smiles "CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5" ;
dbp:inchikey "InChIKey=YOSHYTLCDANDAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "irbstan" ;
skos:prefLabel "irbesartan"@nl .
csc:CHEMONTID_0003980
skos:narrower csc:SSIMHHUMYMHNID-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N .
csc:PFJJMJDEVDLPNE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62306 ;
dbo:casNumber "98730-04-2" ;
dbo:formula "C11H11Cl2NO2" ;
dbo:inchi "InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3" ;
dbo:iupacName "2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone"@en ;
dbo:pubchem "62306"^^xsd:int ;
dbo:smiles "CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl" ;
dbp:inchikey "InChIKey=PFJJMJDEVDLPNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001396 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benoacr" ;
skos:prefLabel "benoxacor"@nl .
csc:NIXXQNOQHKNPEJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213012 ;
dbo:casNumber "150114-71-9" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)" ;
dbo:iupacName "4-amino-3,6-dichloropyridine-2-carboxylic acid"@en ;
dbo:pubchem "213012"^^xsd:int ;
dbo:smiles "C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N" ;
dbp:inchikey "InChIKey=NIXXQNOQHKNPEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Aoprld" ;
skos:prefLabel "aminopyralid"@nl .
csc:CHEMONTID_0004502
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004502 ;
skos:definition "Nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GAGWJHPBXLXJQN-UORFTKCHSA-N ;
skos:notation "CHEMONTID:0004502" ;
skos:prefLabel "5'-deoxyribonucleosides"@en .
csc:WHPVYXDFIXRKLN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36159 ;
dbo:casNumber "32534-81-9" , "60348-60-9" , "132405-96-0" , "134206-43-2" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H" ;
dbo:iupacName "1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "36159"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "InChIKey=WHPVYXDFIXRKLN-UHFFFAOYSA-N" ;
skos:altLabel "bde 99"@nl , "2,2',4,4',5-pentabroomdifenylether"@nl , "pentabroomdifenylether"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_32534-81-9 , wise:CAS_60348-60-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE99" ;
skos:prefLabel "2,2',4,4',5-pentabroomdifenylether (bde99)"@nl ;
vcs:vmmParameterId "1196"^^xsd:int , "933"^^xsd:int .
csc:FRNOGLGSGLTDKL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23961 ;
dbo:casNumber "7440-30-4" , "69527-01-1" , "29687-68-1" , "110424-80-1" ;
dbo:formula "Tm" ;
dbo:inchi "InChI=1S/Tm" ;
dbo:iupacName "THULIUM"@en ;
dbo:pubchem "23961"^^xsd:int ;
dbo:smiles "[Tm]" ;
dbp:inchikey "InChIKey=FRNOGLGSGLTDKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tm" ;
skos:prefLabel "thulium"@nl .
csc:NLYNUTMZTCLNOO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25912 ;
dbo:casNumber "13360-45-7" ;
dbo:formula "C9H10BrClN2O2" ;
dbo:inchi "InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(4-Bromo-3-chlorophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "25912"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC" ;
dbp:inchikey "InChIKey=NLYNUTMZTCLNOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_13360-45-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbmrn" ;
skos:prefLabel "chloorbromuron"@nl ;
vcs:vmmParameterId "975"^^xsd:int .
csc:CHEMONTID_0003901
skos:narrower csc:HJIUPFPIEBPYIE-UHFFFAOYSA-N , csc:BNCADMBVWNPPIZ-UHFFFAOYSA-N , csc:GGSUCNLOZRCGPQ-UHFFFAOYSA-N , csc:JLTDJTHDQAWBAV-UHFFFAOYSA-N , csc:CHHCCYVOJBBCIY-UHFFFAOYSA-N , csc:VIIZJXNVVJKISZ-UHFFFAOYSA-N , csc:CAWXEEYDBZRFPE-UHFFFAOYSA-N , csc:CJAOGUFAAWZWNI-UHFFFAOYSA-N , csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N , csc:IZEKFCXSFNUWAM-UHFFFAOYSA-N , csc:CJHXCRMKMMBYJQ-UHFFFAOYSA-N .
csc:XMBWDFGMSWQBCA-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30165 ;
dbo:casNumber "20461-54-5" ;
dbo:formula "I-" ;
dbo:inchi "InChI=1S/HI/h1H/p-1" ;
dbo:iupacName "Iodide"@en ;
dbo:pubchem "30165"^^xsd:int ;
dbo:smiles "[I-]" ;
dbp:inchikey "InChIKey=XMBWDFGMSWQBCA-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I" ;
skos:prefLabel "jodide"@nl .
cscl:subclass a xkos:ClassificationLevel ;
xkos:depth "4"^^xsd:positiveInteger ;
skos:definition "SubClasses, which typically consist of >10,000 known compounds. There are 1729 SubClasses in the current taxonomy. Additionally, there are 2296 addi-tional categories below the SubClass level covering taxo-nomic levels 5–11."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:CHEMONTID_0002608 , csc:CHEMONTID_0000716 , csc:CHEMONTID_0004476 , csc:CHEMONTID_0001974 , csc:CHEMONTID_0001194 , csc:CHEMONTID_0002798 , csc:CHEMONTID_0000037 , csc:CHEMONTID_0000049 , csc:CHEMONTID_0001551 , csc:CHEMONTID_0001581 , csc:CHEMONTID_0000526 , csc:CHEMONTID_0004785 , csc:CHEMONTID_0000141 , csc:CHEMONTID_0001302 , csc:CHEMONTID_0000153 , csc:CHEMONTID_0004665 , csc:CHEMONTID_0004714 , csc:CHEMONTID_0002811 , csc:CHEMONTID_0000194 , csc:CHEMONTID_0004670 , csc:CHEMONTID_0001290 , csc:CHEMONTID_0000501 , csc:CHEMONTID_0001470 , csc:CHEMONTID_0002864 , csc:CHEMONTID_0001908 , csc:CHEMONTID_0001244 , csc:CHEMONTID_0000321 , csc:CHEMONTID_0004024 , csc:CHEMONTID_0002497 , csc:CHEMONTID_0004742 , csc:CHEMONTID_0001693 , csc:CHEMONTID_0004758 , csc:CHEMONTID_0001314 , csc:CHEMONTID_0001183 , csc:CHEMONTID_0002581 , csc:CHEMONTID_0001204 , csc:CHEMONTID_0000087 , csc:CHEMONTID_0002966 , csc:CHEMONTID_0000584 , csc:CHEMONTID_0003480 , csc:CHEMONTID_0003449 , csc:CHEMONTID_0000490 , csc:CHEMONTID_0001550 , csc:CHEMONTID_0001286 , csc:CHEMONTID_0003410 , csc:CHEMONTID_0000120 , csc:CHEMONTID_0004660 , csc:CHEMONTID_0001534 , csc:CHEMONTID_0000324 , csc:CHEMONTID_0000210 , csc:CHEMONTID_0004155 , csc:CHEMONTID_0001831 , csc:CHEMONTID_0000408 , csc:CHEMONTID_0004203 , csc:CHEMONTID_0004766 , csc:CHEMONTID_0001065 , csc:CHEMONTID_0001975 , csc:CHEMONTID_0001027 , csc:CHEMONTID_0001607 , csc:CHEMONTID_0001987 , csc:CHEMONTID_0003568 , csc:CHEMONTID_0000369 , csc:CHEMONTID_0000372 , csc:CHEMONTID_0000550 , csc:CHEMONTID_0003862 , csc:CHEMONTID_0000078 , csc:CHEMONTID_0001548 , csc:CHEMONTID_0000534 , csc:CHEMONTID_0000546 , csc:CHEMONTID_0001379 , csc:CHEMONTID_0001077 , csc:CHEMONTID_0001030 , csc:CHEMONTID_0000185 , csc:CHEMONTID_0001245 , csc:CHEMONTID_0000901 , csc:CHEMONTID_0000053 , csc:CHEMONTID_0004233 , csc:CHEMONTID_0000530 , csc:CHEMONTID_0000542 , csc:CHEMONTID_0000298 , csc:CHEMONTID_0004789 , csc:CHEMONTID_0001814 , csc:CHEMONTID_0000398 , csc:CHEMONTID_0001553 , csc:CHEMONTID_0001871 , csc:CHEMONTID_0000093 , csc:CHEMONTID_0002010 , csc:CHEMONTID_0001891 , csc:CHEMONTID_0000285 , csc:CHEMONTID_0001368 , csc:CHEMONTID_0000035 , csc:CHEMONTID_0000047 , csc:CHEMONTID_0001857 , csc:CHEMONTID_0000503 , csc:CHEMONTID_0000262 , csc:CHEMONTID_0004208 , csc:CHEMONTID_0001961 , csc:CHEMONTID_0001168 , csc:CHEMONTID_0001920 , csc:CHEMONTID_0000139 , csc:CHEMONTID_0001016 , csc:CHEMONTID_0000392 , csc:CHEMONTID_0002651 , csc:CHEMONTID_0001524 , csc:CHEMONTID_0003809 , csc:CHEMONTID_0000355 , csc:CHEMONTID_0000522 , csc:CHEMONTID_0003597 , csc:CHEMONTID_0002901 , csc:CHEMONTID_0004628 , csc:CHEMONTID_0000399 , csc:CHEMONTID_0003566 , csc:CHEMONTID_0002336 , csc:CHEMONTID_0004107 , csc:CHEMONTID_0000038 , csc:CHEMONTID_0000041 , csc:CHEMONTID_0000330 , csc:CHEMONTID_0002042 , csc:CHEMONTID_0001466 , csc:CHEMONTID_0002449 , csc:CHEMONTID_0001205 , csc:CHEMONTID_0001334 , csc:CHEMONTID_0004105 , csc:CHEMONTID_0000254 , csc:CHEMONTID_0002317 , csc:CHEMONTID_0000036 , csc:CHEMONTID_0000015 , csc:CHEMONTID_0000326 , csc:CHEMONTID_0003893 , csc:CHEMONTID_0000504 , csc:CHEMONTID_0001114 , csc:CHEMONTID_0000079 , csc:CHEMONTID_0004631 , csc:CHEMONTID_0000081 , csc:CHEMONTID_0002445 , csc:CHEMONTID_0002049 , csc:CHEMONTID_0002348 , csc:CHEMONTID_0000011 , csc:CHEMONTID_0000310 , csc:CHEMONTID_0004157 , csc:CHEMONTID_0004646 , csc:CHEMONTID_0002995 , csc:CHEMONTID_0002902 , csc:CHEMONTID_0002863 , csc:CHEMONTID_0003808 , csc:CHEMONTID_0001460 , csc:CHEMONTID_0002320 , csc:CHEMONTID_0002552 , csc:CHEMONTID_0000299 , csc:CHEMONTID_0000308 , csc:CHEMONTID_0000331 , csc:CHEMONTID_0004162 , csc:CHEMONTID_0003411 , csc:CHEMONTID_0002500 , csc:CHEMONTID_0001055 , csc:CHEMONTID_0000190 , csc:CHEMONTID_0001888 , csc:CHEMONTID_0004647 , csc:CHEMONTID_0003981 , csc:CHEMONTID_0002363 , csc:CHEMONTID_0004456 , csc:CHEMONTID_0000055 , csc:CHEMONTID_0000067 , csc:CHEMONTID_0000417 , csc:CHEMONTID_0003815 , csc:CHEMONTID_0000072 , csc:CHEMONTID_0001151 , csc:CHEMONTID_0000518 , csc:CHEMONTID_0001861 , csc:CHEMONTID_0003569 , csc:CHEMONTID_0004443 , csc:CHEMONTID_0000095 , csc:CHEMONTID_0000554 , csc:CHEMONTID_0000640 , csc:CHEMONTID_0001026 , csc:CHEMONTID_0003567 , csc:CHEMONTID_0001097 , csc:CHEMONTID_0001715 , csc:CHEMONTID_0001549 , csc:CHEMONTID_0000327 , csc:CHEMONTID_0000505 , csc:CHEMONTID_0004776 , csc:CHEMONTID_0001322 , csc:CHEMONTID_0000411 , csc:CHEMONTID_0000112 , csc:CHEMONTID_0001313 , csc:CHEMONTID_0004097 , csc:CHEMONTID_0000056 , csc:CHEMONTID_0000186 , csc:CHEMONTID_0001272 , csc:CHEMONTID_0004632 , csc:CHEMONTID_0000226 , csc:CHEMONTID_0000548 , csc:CHEMONTID_0000163 , csc:CHEMONTID_0000031 , csc:CHEMONTID_0001091 , csc:CHEMONTID_0000517 , csc:CHEMONTID_0002044 , csc:CHEMONTID_0001437 , csc:CHEMONTID_0004485 , csc:CHEMONTID_0004089 , csc:CHEMONTID_0004504 , csc:CHEMONTID_0000316 , csc:CHEMONTID_0004794 , csc:CHEMONTID_0004152 , csc:CHEMONTID_0002257 , csc:CHEMONTID_0001691 , csc:CHEMONTID_0000074 , csc:CHEMONTID_0001544 , csc:CHEMONTID_0000113 , csc:CHEMONTID_0001722 , csc:CHEMONTID_0000363 , csc:CHEMONTID_0000395 , csc:CHEMONTID_0000375 , csc:CHEMONTID_0000013 , csc:CHEMONTID_0001073 , csc:CHEMONTID_0000303 , csc:CHEMONTID_0002680 , csc:CHEMONTID_0004752 , csc:CHEMONTID_0000405 , csc:CHEMONTID_0000250 , csc:CHEMONTID_0001212 , csc:CHEMONTID_0002017 , csc:CHEMONTID_0001158 , csc:CHEMONTID_0004676 , csc:CHEMONTID_0000032 , csc:CHEMONTID_0001572 , csc:CHEMONTID_0001062 , csc:CHEMONTID_0001764 , csc:CHEMONTID_0000132 , csc:CHEMONTID_0001180 , csc:CHEMONTID_0000583 , csc:CHEMONTID_0000162 , csc:CHEMONTID_0004164 , csc:CHEMONTID_0000346 , csc:CHEMONTID_0002441 , csc:CHEMONTID_0004711 , csc:CHEMONTID_0003413 , csc:CHEMONTID_0000151 , csc:CHEMONTID_0003953 , csc:CHEMONTID_0001057 , csc:CHEMONTID_0001530 , csc:CHEMONTID_0002838 , csc:CHEMONTID_0003194 , csc:CHEMONTID_0002861 , csc:CHEMONTID_0002180 , csc:CHEMONTID_0004640 , csc:CHEMONTID_0000014 , csc:CHEMONTID_0002442 , csc:CHEMONTID_0002132 , csc:CHEMONTID_0002340 , csc:CHEMONTID_0000189 , csc:CHEMONTID_0001279 , csc:CHEMONTID_0003455 , csc:CHEMONTID_0001804 , csc:CHEMONTID_0000921 , csc:CHEMONTID_0001633 , csc:CHEMONTID_0000549 , csc:CHEMONTID_0000320 , csc:CHEMONTID_0003970 , csc:CHEMONTID_0002484 , csc:CHEMONTID_0000176 , csc:CHEMONTID_0001986 , csc:CHEMONTID_0004622 , csc:CHEMONTID_0000270 , csc:CHEMONTID_0001935 , csc:CHEMONTID_0004450 , csc:CHEMONTID_0001243 , csc:CHEMONTID_0000895 , csc:CHEMONTID_0001710 , csc:CHEMONTID_0001982 , csc:CHEMONTID_0004387 , csc:CHEMONTID_0000075 , csc:CHEMONTID_0000552 , csc:CHEMONTID_0001753 , csc:CHEMONTID_0003688 , csc:CHEMONTID_0002496 , csc:CHEMONTID_0001359 , csc:CHEMONTID_0002275 , csc:CHEMONTID_0002542 , csc:CHEMONTID_0004551 , csc:CHEMONTID_0000538 , csc:CHEMONTID_0003936 , csc:CHEMONTID_0004112 , csc:CHEMONTID_0004201 , csc:CHEMONTID_0001022 , csc:CHEMONTID_0004677 , csc:CHEMONTID_0000033 , csc:CHEMONTID_0001152 , csc:CHEMONTID_0000045 , csc:CHEMONTID_0001093 , csc:CHEMONTID_0001973 , csc:CHEMONTID_0000525 , csc:CHEMONTID_0000555 , csc:CHEMONTID_0000129 , csc:CHEMONTID_0000284 , csc:CHEMONTID_0001295 , csc:CHEMONTID_0000365 , csc:CHEMONTID_0000553 , csc:CHEMONTID_0002031 , csc:CHEMONTID_0001578 , csc:CHEMONTID_0001142 , csc:CHEMONTID_0000245 , csc:CHEMONTID_0004681 , csc:CHEMONTID_0000138 , csc:CHEMONTID_0000099 , csc:CHEMONTID_0001527 , csc:CHEMONTID_0004113 , csc:CHEMONTID_0000229 , csc:CHEMONTID_0002858 , csc:CHEMONTID_0000410 ;
skos:prefLabel "Subklasse"@nl .
csc:CHEMONTID_0000442
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000442 ;
skos:definition "Inorganic halogenic compounds in which the heaviest metal atom is a metalloid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000442" ;
skos:prefLabel "Metalloid salts"@en .
csc:ZTSDOGSKTICNPQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167547 ;
dbo:casNumber "16517-11-6" ;
dbo:formula "C18HF35O2" ;
dbo:inchi "InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid"@en ;
dbo:pubchem "167547"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=ZTSDOGSKTICNPQ-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctadecaanzuur"@nl , "perfluor-n-octadecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFC18azr" ;
skos:prefLabel "perfluor-n-octadecaanzuur (pfoda)"@nl .
csc:RXXCIBALSKQCAE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31227 ;
dbo:casNumber "122-73-6" ;
dbo:formula "C12H18O" ;
dbo:inchi "InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3" ;
dbo:iupacName "3-methylbutoxymethylbenzene"@en ;
dbo:pubchem "31227"^^xsd:int ;
dbo:smiles "CC(C)CCOCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=RXXCIBALSKQCAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benziC5yEtr" ;
skos:prefLabel "benzylisopentylether"@nl .
csc:WQAQPCDUOCURKW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8012 ;
dbo:casNumber "23601-34-5" , "109-79-5" , "32812-85-4" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3" ;
dbo:iupacName "butane-1-thiol"@en ;
dbo:pubchem "8012"^^xsd:int ;
dbo:smiles "CCCCS" ;
dbp:inchikey "InChIKey=WQAQPCDUOCURKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4atol" ;
skos:prefLabel "1-butaanthiol"@nl .
csc:HRKAMJBPFPHCSD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31355 ;
dbo:casNumber "126-71-6" ;
dbo:formula "C12H27O4P" ;
dbo:inchi "InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3" ;
dbo:iupacName "tris(2-methylpropyl) phosphate"@en ;
dbo:pubchem "31355"^^xsd:int ;
dbo:smiles "CC(C)COP(=O)(OCC(C)C)OCC(C)C" ;
dbp:inchikey "InChIKey=HRKAMJBPFPHCSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiC4yPO4" ;
skos:prefLabel "triisobutylfosfaat"@nl .
csc:PORWMNRCUJJQNO-BKFZFHPZSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6337091 ;
dbo:casNumber "15759-52-1" ;
dbo:formula "Te" ;
dbo:inchi "InChI=1S/Te/i1+5" ;
dbo:iupacName "tellurium-133"@en ;
dbo:pubchem "6337091"^^xsd:int ;
dbo:smiles "[Te]" ;
dbp:inchikey "InChIKey=PORWMNRCUJJQNO-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Te133" ;
skos:prefLabel "tellurium 133"@nl .
csc:CHEMONTID_0002106
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002106 ;
skos:definition "Polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:AOJJSUZBOXZQNB-TZSSRYMLSA-N ;
skos:notation "CHEMONTID:0002106" ;
skos:prefLabel "Anthracyclines"@en .
csc:OFRYBPCSEMMZHR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:114962 ;
dbo:casNumber "56392-16-6" ;
dbo:formula "C15H25NO4" ;
dbo:inchi "InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3" ;
dbo:iupacName "1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "114962"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O" ;
dbp:inchikey "InChIKey=OFRYBPCSEMMZHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aHOxmtpll" ;
skos:prefLabel "alfa-hydroxymetoprolol"@nl .
csc:MGRVRXRGTBOSHW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14017 ;
dbo:casNumber "1066-51-9" ;
dbo:formula "CH6NO3P" ;
dbo:inchi "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)" ;
dbo:iupacName "AMINOMETHYLPHOSPHONIC ACID"@en ;
dbo:pubchem "14017"^^xsd:int ;
dbo:smiles "C(N)P(=O)(O)O" ;
dbp:inchikey "InChIKey=MGRVRXRGTBOSHW-UHFFFAOYSA-N" ;
skos:altLabel "ampa"@nl ;
skos:broader csc:CHEMONTID_0001302 ;
skos:exactMatch wise:CAS_1066-51-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AMPA" ;
skos:prefLabel "aminomethylfosfonzuur"@nl ;
vcs:vmmParameterId "764"^^xsd:int .
csc:CHEMONTID_0004475
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004475 ;
skos:definition "Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double, triple, or aromatic bonds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004475" ;
skos:prefLabel "Unsaturated hydrocarbons"@en .
csc:SQCZQTSHSZLZIQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10977 ;
dbo:casNumber "543-59-9" , "29656-63-1" ;
dbo:formula "C5H11Cl" ;
dbo:inchi "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3" ;
dbo:iupacName "1-Chloropentane"@en ;
dbo:pubchem "10977"^^xsd:int ;
dbo:smiles "CCCCCCl" ;
dbp:inchikey "InChIKey=SQCZQTSHSZLZIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC5a" ;
skos:prefLabel "1-chloorpentaan"@nl .
csc:LAZPBGZRMVRFKY-HNCPQSOCSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27944 ;
dbo:casNumber "24593-45-1" , "74191-78-9" , "14769-73-4" , "39170-95-1" , "16595-80-5" ;
dbo:formula "C11H13ClN2S" ;
dbo:inchi "InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1" ;
dbo:iupacName "(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride"@en ;
dbo:pubchem "27944"^^xsd:int ;
dbo:smiles "C1CSC2=NC(CN21)C3=CC=CC=C3.Cl" ;
dbp:inchikey "InChIKey=LAZPBGZRMVRFKY-HNCPQSOCSA-N" ;
skos:broader csc:CHEMONTID_0000756 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levmsl" ;
skos:prefLabel "levamisol"@nl .
csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 2.5.1 'fluorwaterstof'"@nl , "VLAR III (D3) 'HF'"@nl , "VLAR II (D5) 'HF'"@nl , "VLAR III (D3) 'waterstoffluoride(HF)'"@nl ;
rdfs:seeAlso compound:14917 ;
dbo:casNumber "7664-39-3" , "32057-09-3" , "37249-79-9" ;
dbo:formula "FH" ;
dbo:inchi "InChI=1S/FH/h1H" ;
dbo:iupacName "['Hydrogen fluoride', 'hydron fluoride']"@en ;
dbo:pubchem "14917"^^xsd:int ;
dbo:smiles "F" ;
dbp:inchikey "InChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_006 ;
skos:altLabel "waterstoffluoride (HF)"@nl , "waterstoffluoride (hf)"@nl ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HF" ;
skos:prefLabel "waterstoffluoride"@nl .
csc:YVPYQUNUQOZFHG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2140 ;
dbo:casNumber "117-96-4" ;
dbo:formula "C11H9I3N2O4" ;
dbo:inchi "InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)" ;
dbo:iupacName "3,5-Diacetamido-2,4,6-triiodobenzoic acid"@en ;
dbo:pubchem "2140"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I" ;
dbp:inchikey "InChIKey=YVPYQUNUQOZFHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amdTzinzr" ;
skos:prefLabel "amidotrizoïnezuur"@nl .
csc:QCDWFXQBSFUVSP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31236 ;
dbo:casNumber "37220-49-8" , "122-99-6" , "56257-90-0" , "79586-53-1" , "18249-17-7" , "134367-25-2" , "200260-63-5" , "9004-78-8" ;
dbo:formula "C8H10O2" ;
dbo:inchi "InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2" ;
dbo:iupacName "2-(phenoxy)ethanol"@en ;
dbo:pubchem "31236"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OCCO" ;
dbp:inchikey "InChIKey=QCDWFXQBSFUVSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2fenOxC2ol" ;
skos:prefLabel "2-fenoxyethanol"@nl .
csc:YOBPSXOHCHDCMU-VKZZUTNHSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9570832 ;
dbo:casNumber "73384-59-5" , "74578-69-1" ;
dbo:formula "C18H17N8NaO7S3" ;
dbo:inchi "InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8-;/t9-,15-;/m1./s1" ;
dbo:iupacName "sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9570832"^^xsd:int ;
dbo:smiles "CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=YOBPSXOHCHDCMU-VKZZUTNHSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefTaxn" ;
skos:prefLabel "ceftriaxon"@nl .
csc:DTGDZMYNKLTSKC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11300 ;
dbo:casNumber "570-74-1" ;
dbo:formula "C27H46" ;
dbo:inchi "InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene"@en ;
dbo:pubchem "11300"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCCC4)C)C" ;
dbp:inchikey "InChIKey=DTGDZMYNKLTSKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5choletne" ;
skos:prefLabel "5-cholestene"@nl .
csc:JCXGWMGPZLAOME-AKLPVKDBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335500 ;
dbo:casNumber "14913-49-6" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+3" ;
dbo:iupacName "bismuth-212"@en ;
dbo:pubchem "6335500"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi212" ;
skos:prefLabel "bismuth 212"@nl .
csc:GQEZCXVZFLOKMC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12395 ;
dbo:casNumber "629-73-2" , "26952-14-7" , "68855-59-4" ;
dbo:formula "C16H32" ;
dbo:inchi "InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3" ;
dbo:iupacName "hexadec-1-ene"@en ;
dbo:pubchem "12395"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC=C" ;
dbp:inchikey "InChIKey=GQEZCXVZFLOKMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16e" ;
skos:prefLabel "1-hexadeceen"@nl .
csc:CHEMONTID_0001022
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001022 ;
skos:definition "Organic compounds containing the functional group -CO-Cl."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PVFOMCVHYWHZJE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001022" ;
skos:prefLabel "Acyl chlorides"@en .
csc:DWZSTEUTHNUVQD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41718 ;
dbo:casNumber "56070-16-7" ;
dbo:formula "C9H21O4PS3" ;
dbo:inchi "InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "41718"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C" ;
dbp:inchikey "InChIKey=DWZSTEUTHNUVQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfsfn" ;
skos:prefLabel "terbufos-sulfon"@nl .
csc:GIUKJJMBQBRFTN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:145710 ;
dbo:casNumber "3868-61-9" ;
dbo:formula "C9H4Cl6O2" ;
dbo:inchi "InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2" ;
dbo:iupacName "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one"@en ;
dbo:pubchem "145710"^^xsd:int ;
dbo:smiles "C1C2C(C(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=GIUKJJMBQBRFTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001245 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfltn" ;
skos:prefLabel "endosulfanlacton"@nl .
csc:CHEMONTID_0002647
skos:narrower csc:PFURGBBHAOXLIO-UHFFFAOYSA-N , csc:KYYIDSXMWOZKMP-UHFFFAOYSA-N , csc:HPXRVTGHNJAIIH-UHFFFAOYSA-N .
csc:KJBDZJFSYQUNJT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91633 ;
dbo:casNumber "40186-70-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(10(17)7(15)2-4)9-6(14)3-8(16)11(18)12(9)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "91633"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=KJBDZJFSYQUNJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB175" ;
skos:prefLabel "2,2',3,3',4,5,6-heptachloorbifenyl"@nl .
csc:FKLQIONHGSFYJY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3083545 ;
dbo:casNumber "174514-07-9" ;
dbo:formula "C15H12BrClF4N2O2" ;
dbo:inchi "InChI=1S/C15H12BrClF4N2O2/c1-6(2)25-14(24)7-4-8(10(18)5-9(7)17)12-11(16)13(15(19,20)21)23(3)22-12/h4-6H,1-3H3" ;
dbo:iupacName "propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate"@en ;
dbo:pubchem "3083545"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=C(C=C(C(=C1)C2=NN(C(=C2Br)C(F)(F)F)C)F)Cl" ;
dbp:inchikey "InChIKey=FKLQIONHGSFYJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazlt" ;
skos:prefLabel "fluazolaat"@nl .
csc:IQVNEKKDSLOHHK-FNCQTZNRSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281875 ;
dbo:casNumber "67485-29-4" , "70829-12-8" ;
dbo:formula "C25H24F6N4" ;
dbo:inchi "InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+" ;
dbo:iupacName "['N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine', 'N-[[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]amino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine']"@en ;
dbo:pubchem "5281875"^^xsd:int ;
dbo:smiles "CC1(CNC(=NC1)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C" ;
dbp:inchikey "InChIKey=IQVNEKKDSLOHHK-FNCQTZNRSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydC1ynn" ;
skos:prefLabel "hydramethylnon"@nl .
csc:VEVZCONIUDBCDC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73668 ;
dbo:casNumber "56425-91-3" , "77125-41-8" ;
dbo:formula "C15H15F3N2O2" ;
dbo:inchi "InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3" ;
dbo:iupacName "2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol"@en ;
dbo:pubchem "73668"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O" ;
dbp:inchikey "InChIKey=VEVZCONIUDBCDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurpmdl" ;
skos:prefLabel "flurprimidol"@nl .
csc:YUAUPYJCVKNAEC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43714 ;
dbo:casNumber "61676-87-7" ;
dbo:formula "C12H14N2S" ;
dbo:inchi "InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3" ;
dbo:iupacName "N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine"@en ;
dbo:pubchem "43714"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C" ;
dbp:inchikey "InChIKey=YUAUPYJCVKNAEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cymazl" ;
skos:prefLabel "cymiazool"@nl .
csc:CHEMONTID_0001563
skos:narrower csc:YUGWDVYLFSETPE-JLHYYAGUSA-N , csc:RDQSIADLBQFVMY-UHFFFAOYSA-N , csc:KHQDWCKZXLWDNM-KPKJPENVSA-N .
csc:RCTCYOQIGNPQJH-WEVVVXLNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9576739 ;
dbo:casNumber "34681-24-8" ;
dbo:formula "C7H14N2O3S" ;
dbo:inchi "InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "(3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "9576739"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)S(=O)C" ;
dbp:inchikey "InChIKey=RCTCYOQIGNPQJH-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxmSO" ;
skos:prefLabel "butocarboximsulfoxide"@nl .
csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7430 ;
dbo:casNumber "58916-70-4" , "99-30-9" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2" ;
dbo:iupacName "2,6-Dichloro-4-nitroaniline"@en ;
dbo:pubchem "7430"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=BIXZHMJUSMUDOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_99-30-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl4NO2An" ;
skos:prefLabel "2,6-dichloor-4-nitroaniline"@nl ;
vcs:vmmParameterId "1502"^^xsd:int .
csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl ;
rdfs:seeAlso compound:17358 ;
dbo:casNumber "36575-03-8" , "2551-62-4" , "29267-82-1" , "59109-69-2" ;
dbo:formula "F6S" ;
dbo:inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" ;
dbo:iupacName "hexafluoro-lambda6-sulfane"@en ;
dbo:pubchem "17358"^^xsd:int ;
dbo:smiles "FS(F)(F)(F)(F)F" ;
dbp:inchikey "InChIKey=SFZCNBIFKDRMGX-UHFFFAOYSA-N" ;
skos:altLabel "zwavelhexafluoride (sf6)"@nl , "zwavelhexafluoride"@nl ;
skos:broader csc:CHEMONTID_0000437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SF6" ;
skos:prefLabel "zwavelhexafluoride (SF6)"@nl .
csc:RUYUCCQRWINUHE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34466 ;
dbo:casNumber "62601-62-1" , "29082-74-4" ;
dbo:formula "C8Cl8" ;
dbo:inchi "InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene"@en ;
dbo:pubchem "34466"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RUYUCCQRWINUHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcClsrn" ;
skos:prefLabel "octachloorstyreen"@nl .
csc:ZLMJMSJWJFRBEC-OUBTZVSYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328542 ;
dbo:casNumber "13966-00-2" ;
dbo:formula "K" ;
dbo:inchi "InChI=1S/K/i1+1" ;
dbo:iupacName "potassium-40"@en ;
dbo:pubchem "6328542"^^xsd:int ;
dbo:smiles "[K]" ;
dbp:inchikey "InChIKey=ZLMJMSJWJFRBEC-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "K40" ;
skos:prefLabel "kalium 40"@nl .
csc:MVPKIPGHRNIOPT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77849 ;
dbo:casNumber "4184-79-6" ;
dbo:formula "C8H9N3" ;
dbo:inchi "InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)" ;
dbo:iupacName "5,6-dimethyl-2H-benzotriazole"@en ;
dbo:pubchem "77849"^^xsd:int ;
dbo:smiles "CC1=CC2=NNN=C2C=C1C" ;
dbp:inchikey "InChIKey=MVPKIPGHRNIOPT-UHFFFAOYSA-N" ;
skos:altLabel "5,6-dimethyl-1H-benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "56DC1y1Hbzt2" ;
skos:prefLabel "5,6-dimethyl-1h-benzotriazool"@nl .
csc:GWEVSGVZZGPLCZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26042 ;
dbo:casNumber "39360-64-0" , "37230-94-7" , "221548-98-7" , "39320-58-6" , "195740-11-5" , "37230-96-9" , "12789-63-8" , "39379-02-7" , "101239-53-6" , "55068-84-3" , "13463-67-7" , "62338-64-1" , "246178-32-5" , "55068-85-4" , "185828-91-5" , "1344-29-2" , "1317-70-0" , "12701-76-7" , "252962-41-7" , "98084-96-9" , "1317-80-2" , "1309-63-3" , "188357-76-8" , "37230-92-5" , "224963-00-2" , "37230-95-8" , "185323-71-1" , "12767-65-6" , "12036-20-3" , "188357-79-1" , "116788-85-3" , "12000-59-8" ;
dbo:formula "O2Ti" ;
dbo:inchi "InChI=1S/2O.Ti" ;
dbo:iupacName "dioxotitanium"@en ;
dbo:pubchem "26042"^^xsd:int ;
dbo:smiles "O=[Ti]=O" ;
dbp:inchikey "InChIKey=GWEVSGVZZGPLCZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_B_002 ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiO2" ;
skos:prefLabel "titaandioxide"@nl .
csc:UBCKGWBNUIFUST-BJMVGYQFSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5842000 ;
dbo:casNumber "22248-79-9" , "961-11-5" ;
dbo:formula "C10H9Cl4O4P" ;
dbo:inchi "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+" ;
dbo:iupacName "[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate"@en ;
dbo:pubchem "5842000"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UBCKGWBNUIFUST-BJMVGYQFSA-N" ;
skos:altLabel "cis-tetrachloorvinfos (Z-isomeer)"@nl , "cis-tetrachloorvinfos (z-isomeer)"@nl , "tetrachloorvinfos"@nl ;
skos:broader csc:CHEMONTID_0000037 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cT4Clvfs" , "T4Clvfs" ;
skos:prefLabel "tetrachloorvinfos (mixed isomeren)"@nl .
csc:PALAXWMMBSLIDB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3017170 ;
dbo:casNumber "60044-24-8" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H" ;
dbo:iupacName "1,2,4-tribromo-5-(2-bromophenyl)benzene"@en ;
dbo:pubchem "3017170"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=PALAXWMMBSLIDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB49" ;
skos:prefLabel "2,2',4,5'-tetrabroombifenyl"@nl .
csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1480 ;
dbo:casNumber "93-76-5" ;
dbo:formula "C8H5Cl3O3" ;
dbo:inchi "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)" ;
dbo:iupacName "2-(2,4,5-trichlorophenoxy)acetic acid"@en ;
dbo:pubchem "1480"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O" ;
dbp:inchikey "InChIKey=SMYMJHWAQXWPDB-UHFFFAOYSA-N" ;
skos:altLabel "2,4,5-trichloorfenoxyazijnzuur"@nl , "(2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_93-76-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245T" ;
skos:prefLabel "(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)"@nl ;
vcs:vmmParameterId "229"^^xsd:int .
csc:OACYKCIZDVVNJL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61209 ;
dbo:casNumber "79299-96-0" , "765-70-8" ;
dbo:formula "C6H8O2" ;
dbo:inchi "InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3" ;
dbo:iupacName "3-Methylcyclopentane-1,2-dione"@en ;
dbo:pubchem "61209"^^xsd:int ;
dbo:smiles "CC1CCC(=O)C1=O" ;
dbp:inchikey "InChIKey=OACYKCIZDVVNJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y12ccC5aD" ;
skos:prefLabel "3-methyl-1,2-cyclopentaandion"@nl .
csc:BXCUMAUHMPSRPZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74227 ;
dbo:casNumber "1639-31-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3" ;
dbo:iupacName "3,4,5-Trimethylaniline"@en ;
dbo:pubchem "74227"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)N" ;
dbp:inchikey "InChIKey=BXCUMAUHMPSRPZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TC1yAn" ;
skos:prefLabel "3,4,5-trimethylaniline"@nl .
csc:CHEMONTID_0000400
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000400 ;
skos:definition "Organic compounds containing the phosphorus atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000400" ;
skos:prefLabel "Organophosphorus compounds"@en .
csc:CHEMONTID_0003370
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003370 ;
skos:definition "Organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JCYPECIVGRXBMO-UHFFFAOYSA-N , csc:PFRYFZZSECNQOL-UHFFFAOYSA-N , csc:DMLAVOWQYNRWNQ-UHFFFAOYSA-N , csc:QPQKUYVSJWQSDY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003370" ;
skos:prefLabel "Azobenzenes"@en .
csc:CHEMONTID_0000394
skos:narrower csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N , csc:WQRCEBAZAUAUQC-UHFFFAOYSA-N , csc:WFKSADNZWSKCRZ-UHFFFAOYSA-N , csc:OWDLFBLNMPCXSD-UHFFFAOYSA-N , csc:KRZUZYJEQBXUIN-UHFFFAOYSA-N , csc:CJPQIRJHIZUAQP-UHFFFAOYSA-N .
csc:ZTNANFDSJRRZRJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14536 ;
dbo:casNumber "1198-37-4" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3" ;
dbo:iupacName "2,4-Dimethylquinoline"@en ;
dbo:pubchem "14536"^^xsd:int ;
dbo:smiles "CC1=CC(=NC2=CC=CC=C12)C" ;
dbp:inchikey "InChIKey=ZTNANFDSJRRZRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yqnlne" ;
skos:prefLabel "2,4-dimethylquinoline"@nl .
csc:VMNISWKTOHUZQN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:138452 ;
dbo:casNumber "5324-68-5" ;
dbo:formula "C9H9Cl3" ;
dbo:inchi "InChI=1S/C9H9Cl3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3" ;
dbo:iupacName "1,3,5-Trichloro-2,4,6-trimethylbenzene"@en ;
dbo:pubchem "138452"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl" ;
dbp:inchikey "InChIKey=VMNISWKTOHUZQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TCl246TC1" ;
skos:prefLabel "1,3,5-trichloor-2,4,6-trimethylbenzeen"@nl .
csc:USBWBBAUWVUJLA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:85725 ;
dbo:casNumber "14367-46-5" ;
dbo:formula "C12H19NO" ;
dbo:inchi "InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3" ;
dbo:iupacName "N-ethyl-1-(4-methoxyphenyl)propan-2-amine"@en ;
dbo:pubchem "85725"^^xsd:int ;
dbo:smiles "CCNC(C)CC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=USBWBBAUWVUJLA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebvrnAm" ;
skos:prefLabel "mebeverine amine"@nl .
csc:SNAJJYBUNRAGEF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22833317 ;
dbo:casNumber "24800-44-0" ;
dbo:formula "C9H20O4" ;
dbo:inchi "InChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3" ;
dbo:iupacName "1-[1-(1-hydroxypropoxy)propan-2-yloxy]propan-1-ol"@en ;
dbo:pubchem "22833317"^^xsd:int ;
dbo:smiles "CCC(O)OCC(C)OC(CC)O" ;
dbp:inchikey "InChIKey=SNAJJYBUNRAGEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yegcl" ;
skos:prefLabel "tripropyleenglycol"@nl .
csc:OJZGCEDLMNSDNY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:171178 ;
dbo:casNumber "77108-21-5" , "9044-18-2" , "54538-29-3" , "137331-90-9" , "9063-27-8" , "55500-89-5" , "25776-41-4" , "11119-96-3" , "65455-14-3" , "60454-51-5" , "9041-10-5" , "85113-87-7" , "52625-13-5" , "109224-17-1" , "37324-91-7" ;
dbo:formula "C24H50O12" ;
dbo:inchi "InChI=1S/C24H50O12/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-30H,1-20H2" ;
dbo:iupacName "3-[1,2,4,5,6-pentakis(3-hydroxypropoxy)hexan-3-yloxy]propan-1-ol"@en ;
dbo:pubchem "171178"^^xsd:int ;
dbo:smiles "C(CO)COCC(C(C(C(COCCCO)OCCCO)OCCCO)OCCCO)OCCCO" ;
dbp:inchikey "InChIKey=OJZGCEDLMNSDNY-UHFFFAOYSA-N" ;
skos:altLabel "D-glucitol, gepropoxyleerd"@nl ;
skos:broader csc:CHEMONTID_0001540 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dgluctgprop" ;
skos:prefLabel "d-glucitol, gepropoxyleerd"@nl .
csc:CHEMONTID_0000315
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000315 ;
skos:definition "Organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MVPKIPGHRNIOPT-UHFFFAOYSA-N , csc:PZBQVZFITSVHAW-UHFFFAOYSA-N , csc:LRUDIIUSNGCQKF-UHFFFAOYSA-N , csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N , csc:PWORFEDVDWBHSJ-UHFFFAOYSA-N , csc:QRUDEWIWKLJBPS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000315" ;
skos:prefLabel "Benzotriazoles"@en .
csc:DFZSBQYOXAUYCB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:96177 ;
dbo:casNumber "6629-29-4" ;
dbo:formula "C7H9N3O2" ;
dbo:inchi "InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3" ;
dbo:iupacName "4-methyl-5-nitrobenzene-1,3-diamine"@en ;
dbo:pubchem "96177"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])N)N" ;
dbp:inchikey "InChIKey=DFZSBQYOXAUYCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAo6NO2Tol" ;
skos:prefLabel "2,4-diamino-6-nitrotolueen"@nl .
csc:HSMVPDGQOIQYSR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91699 ;
dbo:casNumber "99387-89-0" , "68694-11-1" ;
dbo:formula "C15H15ClF3N3O" ;
dbo:inchi "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3" ;
dbo:iupacName "N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine"@en ;
dbo:pubchem "91699"^^xsd:int ;
dbo:smiles "CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2" ;
dbp:inchikey "InChIKey=HSMVPDGQOIQYSR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfmzl" ;
skos:prefLabel "triflumizool"@nl .
csc:FFWSICBKRCICMR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8034 ;
dbo:casNumber "110-12-3" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3" ;
dbo:iupacName "5-Methylhexan-2-one"@en ;
dbo:pubchem "8034"^^xsd:int ;
dbo:smiles "CC(C)CCC(=O)C" ;
dbp:inchikey "InChIKey=FFWSICBKRCICMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1y2C6on" ;
skos:prefLabel "5-methyl-2-hexanon"@nl .
csc:OXFUXNFMHFCELM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68188 ;
dbo:casNumber "513-02-0" ;
dbo:formula "C9H21O4P" ;
dbo:inchi "InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3" ;
dbo:iupacName "['tripropan-2-yl phosphate', 'hydroxy-tri(propan-2-yloxy)phosphanium']"@en ;
dbo:pubchem "68188"^^xsd:int ;
dbo:smiles "CC(C)OP(=O)(OC(C)C)OC(C)C" ;
dbp:inchikey "InChIKey=OXFUXNFMHFCELM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiC3yPO4" ;
skos:prefLabel "triisopropylfosfaat"@nl .
csc:IGLNJRXAVVLDKE-OUBTZVSYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335499 ;
dbo:casNumber "14932-53-7" ;
dbo:formula "Rb" ;
dbo:inchi "InChI=1S/Rb/i1+1" ;
dbo:iupacName "rubidium-86"@en ;
dbo:pubchem "6335499"^^xsd:int ;
dbo:smiles "[Rb]" ;
dbp:inchikey "InChIKey=IGLNJRXAVVLDKE-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rb86" ;
skos:prefLabel "rubidium 86"@nl .
csc:HEDRZPFGACZZDS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trichloormethaan'"@nl , ", (syn: trichloormethaan)"@nl ;
rdfs:seeAlso compound:6212 ;
dbo:casNumber "8013-54-5" , "67-66-3" ;
dbo:formula "CHCl3" ;
dbo:inchi "InChI=1S/CHCl3/c2-1(3)4/h1H" ;
dbo:iupacName "Chloroform"@en ;
dbo:pubchem "6212"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=HEDRZPFGACZZDS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 ;
skos:altLabel "trichloormethaan (chloroform)"@nl , "chloroform"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_67-66-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC1a" ;
skos:prefLabel "trichloormethaan"@nl ;
vcs:vmmParameterId "388"^^xsd:int .
csc:RGVYUPIYFIVQDS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:117809 ;
dbo:casNumber "26172-55-4" , "26530-03-0" , "116680-96-7" ;
dbo:formula "C4H5Cl2NOS" ;
dbo:inchi "InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H" ;
dbo:iupacName "5-chloro-2-methyl-1,2-thiazol-3-one hydrochloride"@en ;
dbo:pubchem "117809"^^xsd:int ;
dbo:smiles "CN1C(=O)C=C(S1)Cl.Cl" ;
dbp:inchikey "InChIKey=RGVYUPIYFIVQDS-UHFFFAOYSA-N" ;
skos:altLabel "5-chloor-2-methyl-2h-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2C1y2Hita" ;
skos:prefLabel "5-chloor-2-methyl-2H-isothiazool-3-on"@nl .
csc:QIRNGVVZBINFMX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15624 ;
dbo:casNumber "26761-75-1" , "1745-81-9" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2" ;
dbo:iupacName "2-prop-2-enylphenol"@en ;
dbo:pubchem "15624"^^xsd:int ;
dbo:smiles "C=CCC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=QIRNGVVZBINFMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oallFol" ;
skos:prefLabel "o-allylfenol"@nl .
csc:MMOXZBCLCQITDF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4284 ;
dbo:casNumber "94271-03-1" , "134-62-3" ;
dbo:formula "C12H17NO" ;
dbo:inchi "InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3" ;
dbo:iupacName "N,N-Diethyl-3-methylbenzamide"@en ;
dbo:pubchem "4284"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C1=CC=CC(=C1)C" ;
dbp:inchikey "InChIKey=MMOXZBCLCQITDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004223 ;
skos:exactMatch wise:CAS_134-62-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEET" ;
skos:prefLabel "diethyltoluamide"@nl ;
vcs:vmmParameterId "1018"^^xsd:int .
csc:GUTLYIVDDKVIGB-OUBTZVSYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61492 ;
dbo:casNumber "10198-40-0" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1+1" ;
dbo:iupacName "cobalt-60"@en ;
dbo:pubchem "61492"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co60" ;
skos:prefLabel "kobalt 60"@nl .
csc:WARIWGPBHKPYON-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18055 ;
dbo:casNumber "2941-55-1" ;
dbo:formula "C7H15NOS" ;
dbo:inchi "InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3" ;
dbo:iupacName "S-ethyl diethylaminomethanethioate"@en ;
dbo:pubchem "18055"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)SCC" ;
dbp:inchikey "InChIKey=WARIWGPBHKPYON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etolt" ;
skos:prefLabel "ethiolaat"@nl .
csc:OYEHPCDNVJXUIW-NOHWODKXSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105138 ;
dbo:casNumber "15411-93-5" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-7" ;
dbo:iupacName "plutonium-237"@en ;
dbo:pubchem "105138"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-NOHWODKXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu237" ;
skos:prefLabel "plutonium 237"@nl .
csc:BVMGLUHWZZEDRX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:294707 ;
dbo:casNumber "55429-84-0" ;
dbo:formula "C34H70" ;
dbo:inchi "InChI=1S/C34H70/c1-4-7-10-13-16-19-20-21-24-27-30-33-34(31-28-25-22-17-14-11-8-5-2)32-29-26-23-18-15-12-9-6-3/h34H,4-33H2,1-3H3" ;
dbo:iupacName "11-decyltetracosane"@en ;
dbo:pubchem "294707"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC" ;
dbp:inchikey "InChIKey=BVMGLUHWZZEDRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11C10yC24a" ;
skos:prefLabel "11-decyltetracosaan"@nl .
csc:WQLVFSAGQJTQCK-VKROHFNGSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:99474 ;
dbo:casNumber "512-04-9" ;
dbo:formula "C27H42O3" ;
dbo:inchi "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol"@en ;
dbo:pubchem "99474"^^xsd:int ;
dbo:smiles "CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1" ;
dbp:inchikey "InChIKey=WQLVFSAGQJTQCK-VKROHFNGSA-N" ;
skos:broader csc:CHEMONTID_0001553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "diognn" ;
skos:prefLabel "diosgenin"@nl .
csc:JPMIIZHYYWMHDT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33528 ;
dbo:casNumber "12673-72-2" , "53028-82-3" , "122667-23-6" , "26530-20-1" ;
dbo:formula "C11H19NOS" ;
dbo:inchi "InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3" ;
dbo:iupacName "2-octyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "33528"^^xsd:int ;
dbo:smiles "CCCCCCCCN1C(=O)C=CS1" ;
dbp:inchikey "InChIKey=JPMIIZHYYWMHDT-UHFFFAOYSA-N" ;
skos:altLabel "2-octyl-2H-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0000095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C8y2Hitaz3o" ;
skos:prefLabel "2-octyl-2h-isothiazool-3-on"@nl .
csc:NHLUYCJZUXOUBX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29075 ;
dbo:casNumber "18435-45-5" , "27400-77-7" ;
dbo:formula "C19H38" ;
dbo:inchi "InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3" ;
dbo:iupacName "Nonadec-1-ene"@en ;
dbo:pubchem "29075"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC=C" ;
dbp:inchikey "InChIKey=NHLUYCJZUXOUBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C19e" ;
skos:prefLabel "1-nonadeceen"@nl .
csc:NJVHCUNZAMFQNA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8664 ;
dbo:casNumber "21255-91-4" , "148-97-0" , "135-20-6" , "7564-70-7" ;
dbo:formula "C6H9N3O2" ;
dbo:inchi "InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3" ;
dbo:iupacName "azane; N-hydroxy-N-phenylnitrous amide"@en ;
dbo:pubchem "8664"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N(N=O)O.N" ;
dbp:inchikey "InChIKey=NJVHCUNZAMFQNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cupfrn" ;
skos:prefLabel "cupferron"@nl .
csc:ZSLUVFAKFWKJRC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23960 ;
dbo:casNumber "7440-29-1" , "24738-30-5" , "15117-56-3" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th" ;
dbo:iupacName "THORIUM"@en ;
dbo:pubchem "23960"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-UHFFFAOYSA-N" ;
skos:altLabel "thorium 232"@nl ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th232" , "Th" ;
skos:prefLabel "thorium"@nl .
csc:ORQBXQOJMQIAOY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24822 ;
dbo:casNumber "10028-14-5" ;
dbo:formula "No" ;
dbo:inchi "InChI=1S/No" ;
dbo:iupacName "NOBELIUM"@en ;
dbo:pubchem "24822"^^xsd:int ;
dbo:smiles "[No]" ;
dbp:inchikey "InChIKey=ORQBXQOJMQIAOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "No" ;
skos:prefLabel "nobelium"@nl .
csc:LKPLKUMXSAEKID-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6720 ;
dbo:casNumber "56573-57-0" , "39378-26-2" , "55353-34-9" , "82-68-8" ;
dbo:formula "C6Cl5NO2" ;
dbo:inchi "InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-nitrobenzene"@en ;
dbo:pubchem "6720"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=LKPLKUMXSAEKID-UHFFFAOYSA-N" ;
skos:altLabel "pentachloornitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_82-68-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClNO2Ben" ;
skos:prefLabel "pentachloornitrobenzeen (quintozeen)"@nl ;
vcs:vmmParameterId "260"^^xsd:int .
csc:XLROVYAPLOFLNU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23945 ;
dbo:casNumber "7440-13-3" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa" ;
dbo:iupacName "PROTACTINIUM"@en ;
dbo:pubchem "23945"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "InChIKey=XLROVYAPLOFLNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa" ;
skos:prefLabel "protactinium"@nl .
csc:LLHKCFNBLRBOGN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7946 ;
dbo:casNumber "108-65-6" , "142300-82-1" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3" ;
dbo:iupacName "1-methoxypropan-2-yl acetate"@en ;
dbo:pubchem "7946"^^xsd:int ;
dbo:smiles "CC(COC)OC(=O)C" ;
dbp:inchikey "InChIKey=LLHKCFNBLRBOGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PGMEA" ;
skos:prefLabel "propyleenglycolmonomethyletheracetaat"@nl .
csc:MAHPNPYYQAIOJN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86355 ;
dbo:casNumber "120162-55-2" ;
dbo:formula "C13H16N10O5S" ;
dbo:inchi "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea"@en ;
dbo:pubchem "86355"^^xsd:int ;
dbo:smiles "CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" ;
dbp:inchikey "InChIKey=MAHPNPYYQAIOJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azsfrn" ;
skos:prefLabel "azimsulfuron"@nl .
csc:HZEBHPIOVYHPMT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328143 ;
dbo:casNumber "56797-55-8" , "7440-08-6" ;
dbo:formula "Po" ;
dbo:inchi "InChI=1S/Po" ;
dbo:iupacName "POLONIUM"@en ;
dbo:pubchem "6328143"^^xsd:int ;
dbo:smiles "[Po]" ;
dbp:inchikey "InChIKey=HZEBHPIOVYHPMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Po" ;
skos:prefLabel "polonium"@nl .
csc:GVYLCNUFSHDAAW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16945 ;
dbo:casNumber "12707-43-6" , "2385-85-5" , "12557-88-9" , "56449-78-6" , "20594-49-4" , "12766-04-0" ;
dbo:formula "C10Cl12" ;
dbo:inchi "InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18" ;
dbo:iupacName "1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane"@en ;
dbo:pubchem "16945"^^xsd:int ;
dbo:smiles "C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=GVYLCNUFSHDAAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:exactMatch wise:CAS_2385-85-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mirx" ;
skos:prefLabel "mirex"@nl ;
vcs:vmmParameterId "957"^^xsd:int .
csc:JQVDAXLFBXTEQA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8148 ;
dbo:casNumber "111-92-2" , "71230-78-9" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3" ;
dbo:iupacName "N-butylbutan-1-amine"@en ;
dbo:pubchem "8148"^^xsd:int ;
dbo:smiles "CCCCNCCCC" ;
dbp:inchikey "InChIKey=JQVDAXLFBXTEQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yAe" ;
skos:prefLabel "dibutylamine"@nl .
csc:YGJHZCLPZAZIHH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13542 ;
dbo:casNumber "924-16-3" ;
dbo:formula "C8H18N2O" ;
dbo:inchi "InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3" ;
dbo:iupacName "N,N-dibutylnitrous amide"@en ;
dbo:pubchem "13542"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)N=O" ;
dbp:inchikey "InChIKey=YGJHZCLPZAZIHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yNOAe" ;
skos:prefLabel "dibutylnitrosamine"@nl .
csc:CHEMONTID_0000209
skos:narrower csc:YEJAJYAHJQIWNU-UHFFFAOYSA-N .
csc:VNGOYPQMJFJDLV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15088 ;
dbo:casNumber "1459-93-4" ;
dbo:formula "C10H10O4" ;
dbo:inchi "InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl benzene-1,3-dicarboxylate"@en ;
dbo:pubchem "15088"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC(=CC=C1)C(=O)OC" ;
dbp:inchikey "InChIKey=VNGOYPQMJFJDLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yiFt" ;
skos:prefLabel "dimethylisoftalaat"@nl .
csc:CHEMONTID_0002180
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002180 ;
skos:definition "Compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SDUQYLNIPVEERB-QPPQHZFASA-N ;
skos:notation "CHEMONTID:0002180" ;
skos:prefLabel "Pyrimidine 2'-deoxyribonucleosides"@en .
csc:RBSXHDIPCIWOMG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86426 ;
dbo:casNumber "141776-32-1" ;
dbo:formula "C16H18N6O7S2" ;
dbo:inchi "InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethylsulfonylimidazo[3,2-a]pyridin-3-yl)sulfonylurea"@en ;
dbo:pubchem "86426"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC" ;
dbp:inchikey "InChIKey=RBSXHDIPCIWOMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfsfrn" ;
skos:prefLabel "sulfosulfuron"@nl .
csc:ATROHALUCMTWTB-WYMLVPIESA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9570290 ;
dbo:casNumber "14816-18-3" ;
dbo:formula "C12H15N2O3PS" ;
dbo:inchi "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+" ;
dbo:iupacName "N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide"@en ;
dbo:pubchem "9570290"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=ATROHALUCMTWTB-WYMLVPIESA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_14816-18-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fOxm" ;
skos:prefLabel "foxim"@nl ;
vcs:vmmParameterId "400"^^xsd:int .
csc:OIGNJSKKLXVSLS-VWUMJDOOSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5755 ;
dbo:casNumber "50-24-8" , "58201-11-9" , "8056-11-9" ;
dbo:formula "C21H28O5" ;
dbo:inchi "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5755"^^xsd:int ;
dbo:smiles "CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O" ;
dbp:inchikey "InChIKey=OIGNJSKKLXVSLS-VWUMJDOOSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prednsln" ;
skos:prefLabel "prednisolon"@nl .
csc:JJWLVOIRVHMVIS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6363 ;
dbo:casNumber "85404-24-6" , "75-31-0" ;
dbo:formula "C3H9N" ;
dbo:inchi "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3" ;
dbo:iupacName "propan-2-amine"@en ;
dbo:pubchem "6363"^^xsd:int ;
dbo:smiles "CC(C)N" ;
dbp:inchikey "InChIKey=JJWLVOIRVHMVIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yAe" ;
skos:prefLabel "Isopropylamine"@nl .
csc:PIICEJLVQHRZGT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3301 ;
dbo:casNumber "460-19-5" , "15808-32-9" , "27308-78-7" , "8030-24-8" , "107-15-3" , "85404-18-8" , "68845-05-6" , "211750-61-7" , "2074-87-5" ;
dbo:formula "C2H8N2" ;
dbo:inchi "InChI=1S/C2H8N2/c3-1-2-4/h1-4H2" ;
dbo:iupacName "['ethane-1,2-diamine', 'ethyne-1,2-diamine', 'Oxalonitrile']"@en ;
dbo:pubchem "3301"^^xsd:int ;
dbo:smiles "C(CN)N" ;
dbp:inchikey "InChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeDAe" ;
skos:prefLabel "ethyleendiamine"@nl .
csc:ZEUITGRIYCTCEM-KRWDZBQOSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60835 ;
dbo:casNumber "116539-59-4" ;
dbo:formula "C18H19NOS" ;
dbo:inchi "InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1" ;
dbo:iupacName "(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine"@en ;
dbo:pubchem "60835"^^xsd:int ;
dbo:smiles "CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32" ;
dbp:inchikey "InChIKey=ZEUITGRIYCTCEM-KRWDZBQOSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dulxtne" ;
skos:prefLabel "duloxetine"@nl .
csc:AJRJPORIQGYFMT-PVOVUMCXSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5378015 ;
dbo:casNumber "57195-65-0" , "30223-73-5" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-" ;
dbo:iupacName "(2Z)-2-ethylidene-1,5-dimethyl-3,3-di(phenyl)pyrrolidine"@en ;
dbo:pubchem "5378015"^^xsd:int ;
dbo:smiles "CC=C1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=AJRJPORIQGYFMT-PVOVUMCXSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yid15DC1y" ;
skos:prefLabel "2-ethylidene-1,5-dimethyl-3,3-difenylpyrrolidine"@nl .
csc:CHEMONTID_0000267
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000267 ;
skos:definition "Organic compounds containing a bond between a carbon atom and a halogen atom (At, F, Cl, Br, I)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000267" ;
skos:prefLabel "Organohalogen compounds"@en .
csc:YSRVJVDFHZYRPA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73919 ;
dbo:casNumber "1502-47-2" ;
dbo:formula "C6H6N10" ;
dbo:inchi "InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)" ;
dbo:iupacName "11-imino-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,7,9-pentaene-3,7-diamine"@en ;
dbo:pubchem "73919"^^xsd:int ;
dbo:smiles "C1(=NC2=NC(=N)N=C3N2C(=NC(=N3)N)N1)N" ;
dbp:inchikey "InChIKey=YSRVJVDFHZYRPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melm" ;
skos:prefLabel "melem"@nl .
csc:GTZCKTIZOGTWQO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23047 ;
dbo:casNumber "6552-13-2" ;
dbo:formula "C10H15O5PS" ;
dbo:inchi "InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate"@en ;
dbo:pubchem "23047"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C" ;
dbp:inchikey "InChIKey=GTZCKTIZOGTWQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004632 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoOosfOxd" ;
skos:prefLabel "fenthion-oxon-sulfoxide"@nl .
csc:PXMNMQRDXWABCY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86102 ;
dbo:casNumber "80443-41-0" , "107534-96-3" ;
dbo:formula "C16H22ClN3O" ;
dbo:inchi "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3" ;
dbo:iupacName "1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol"@en ;
dbo:pubchem "86102"^^xsd:int ;
dbo:smiles "CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O" ;
dbp:inchikey "InChIKey=PXMNMQRDXWABCY-UHFFFAOYSA-N" ;
skos:altLabel "tebuconazole"@nl ;
skos:broader csc:CHEMONTID_0000014 ;
skos:exactMatch wise:CAS_107534-96-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebcnzl" ;
skos:prefLabel "tebuconazol"@nl ;
vcs:vmmParameterId "1234"^^xsd:int .
csc:SBASXUCJHJRPEV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8134 ;
dbo:casNumber "111-77-3" ;
dbo:formula "C5H12O3" ;
dbo:inchi "InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3" ;
dbo:iupacName "2-(2-Methoxyethoxy)ethanol"@en ;
dbo:pubchem "8134"^^xsd:int ;
dbo:smiles "COCCOCCO" ;
dbp:inchikey "InChIKey=SBASXUCJHJRPEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1oxC2oxC2" ;
skos:prefLabel "2-(2-methoxyethoxy)ethanol"@nl .
csc:XAGFODPZIPBFFR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5359268 ;
dbo:casNumber "91728-14-2" , "7429-90-5" , "80341-19-1" , "113962-66-6" , "12766-45-9" , "39332-62-2" , "37202-64-5" , "182260-45-3" , "39302-71-1" ;
dbo:formula "Al" ;
dbo:inchi "InChI=1S/Al" ;
dbo:iupacName "ALUMINUM"@en ;
dbo:pubchem "5359268"^^xsd:int ;
dbo:smiles "[Al]" ;
dbp:inchikey "InChIKey=XAGFODPZIPBFFR-UHFFFAOYSA-N" ;
skos:altLabel "aluminium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000427 ;
skos:exactMatch wise:CAS_7429-90-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Al" ;
skos:prefLabel "aluminium"@nl ;
vcs:vmmParameterId "131"^^xsd:int , "129"^^xsd:int , "1986"^^xsd:int , "130"^^xsd:int , "128"^^xsd:int .
csc:BQCADISMDOOEFD-AKLPVKDBSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161148 ;
dbo:casNumber "15760-04-0" ;
dbo:formula "Ag" ;
dbo:inchi "InChI=1S/Ag/i1+3" ;
dbo:iupacName "silver-111"@en ;
dbo:pubchem "161148"^^xsd:int ;
dbo:smiles "[Ag]" ;
dbp:inchikey "InChIKey=BQCADISMDOOEFD-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ag111" ;
skos:prefLabel "zilver 111"@nl .
csc:YZHUMGUJCQRKBT-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24487 ;
dbo:casNumber "7775-09-9" , "11096-45-0" , "9011-70-5" , "38869-73-7" , "38869-74-8" ;
dbo:formula "ClNaO3" ;
dbo:inchi "InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "Sodium chlorate"@en ;
dbo:pubchem "24487"^^xsd:int ;
dbo:smiles "[O-]Cl(=O)=O.[Na+]" ;
dbp:inchikey "InChIKey=YZHUMGUJCQRKBT-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaClO3" ;
skos:prefLabel "natriumchloraat"@nl .
csc:RDJTWDKSYLLHRW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17776 ;
dbo:casNumber "2813-95-8" ;
dbo:formula "C12H14N2O6" ;
dbo:inchi "InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3" ;
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) acetate"@en ;
dbo:pubchem "17776"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C" ;
dbp:inchikey "InChIKey=RDJTWDKSYLLHRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnsactt" ;
skos:prefLabel "dinoseb-acetaat"@nl .
csc:LGQLOGILCSXPEA-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24586 ;
dbo:casNumber "139939-67-6" , "7786-81-4" ;
dbo:formula "NiO4S" ;
dbo:inchi "InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "nickel(+2) cation sulfate"@en ;
dbo:pubchem "24586"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Ni+2]" ;
dbp:inchikey "InChIKey=LGQLOGILCSXPEA-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NiSO4" ;
skos:prefLabel "nikkelsulfaat"@nl .
csc:SVTBMSDMJJWYQN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7870 ;
dbo:casNumber "99113-75-4" , "107-41-5" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpentane-2,4-diol"@en ;
dbo:pubchem "7870"^^xsd:int ;
dbo:smiles "CC(CC(C)(C)O)O" ;
dbp:inchikey "InChIKey=SVTBMSDMJJWYQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6yegcl" ;
skos:prefLabel "hexyleen glycol"@nl .
csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91735 ;
dbo:casNumber "83164-33-4" ;
dbo:formula "C19H11F5N2O2" ;
dbo:inchi "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)" ;
dbo:iupacName "N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide"@en ;
dbo:pubchem "91735"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F" ;
dbp:inchikey "InChIKey=WYEHFWKAOXOVJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004712 ;
skos:exactMatch wise:CAS_83164-33-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dffncn" ;
skos:prefLabel "diflufenican"@nl ;
vcs:vmmParameterId "1020"^^xsd:int .
csc:LGMLJQFQKXPRGA-VPVMAENOSA-K
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:55466 ;
dbo:casNumber "86050-77-3" , "80529-93-7" ;
dbo:formula "C28H54GdN5O20" ;
dbo:inchi "InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1" ;
dbo:iupacName "2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol"@en ;
dbo:pubchem "55466"^^xsd:int ;
dbo:smiles "CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "InChIKey=LGMLJQFQKXPRGA-VPVMAENOSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadpttnzr" ;
skos:prefLabel "gadopentetinezuur"@nl .
csc:FFYTTYVSDVWNMY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12760 ;
dbo:casNumber "88054-22-2" , "696-23-1" , "100215-29-0" ;
dbo:formula "C4H5N3O2" ;
dbo:inchi "InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)" ;
dbo:iupacName "2-methyl-4-nitro-3H-imidazole"@en ;
dbo:pubchem "12760"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=FFYTTYVSDVWNMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y5NO2imdz" ;
skos:prefLabel "2-methyl-5-nitroimidazool"@nl .
csc:CHEMONTID_0000331
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000331 ;
skos:definition "Carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UAUDZVJPLUQNMU-KTKRTIGZSA-N ;
skos:notation "CHEMONTID:0000331" ;
skos:prefLabel "Fatty amides"@en .
csc:ZSZFUDFOPOMEET-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:456389 ;
dbo:casNumber "101831-37-2" ;
dbo:formula "C17H9Cl3N4O2" ;
dbo:inchi "InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)" ;
dbo:iupacName "2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile"@en ;
dbo:pubchem "456389"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl" ;
dbp:inchikey "InChIKey=ZSZFUDFOPOMEET-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001527 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "diczrl" ;
skos:prefLabel "diclazuril"@nl .
csc:CHEMONTID_0002074
skos:narrower csc:RDYMFSUJUZBWLH-VQDHCCOSSA-N , csc:RDYMFSUJUZBWLH-UHFFFAOYSA-N , csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N .
csc:QTDRLOKFLJJHTG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43359 ;
dbo:casNumber "60568-05-0" ;
dbo:formula "C14H21NO3" ;
dbo:inchi "InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3" ;
dbo:iupacName "N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide"@en ;
dbo:pubchem "43359"^^xsd:int ;
dbo:smiles "CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC" ;
dbp:inchikey "InChIKey=QTDRLOKFLJJHTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004759 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furmccx" ;
skos:prefLabel "furmecyclox"@nl .
csc:HPSCXFOQUFPEPE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66770 ;
dbo:casNumber "95-81-8" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-5-methylaniline"@en ;
dbo:pubchem "66770"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)N" ;
dbp:inchikey "InChIKey=HPSCXFOQUFPEPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yAn" ;
skos:prefLabel "2-chloor-5-methylaniline"@nl .
csc:BYLSIPUARIZAHZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86688 ;
dbo:casNumber "18254-13-2" ;
dbo:formula "C30H30O" ;
dbo:inchi "InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3" ;
dbo:iupacName "2,4,6-Tris(1-phenylethyl)phenol"@en ;
dbo:pubchem "86688"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)O)C(C)C4=CC=CC=C4" ;
dbp:inchikey "InChIKey=BYLSIPUARIZAHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246T1FyC2yFo" ;
skos:prefLabel "2,4,6-tris(1-fenylethyl)fenol"@nl .
csc:XQTLDIFVVHJORV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8330 ;
dbo:casNumber "28804-67-3" , "117-18-0" ;
dbo:formula "C6HCl4NO2" ;
dbo:inchi "InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H" ;
dbo:iupacName "1,2,4,5-Tetrachloro-3-nitrobenzene"@en ;
dbo:pubchem "8330"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl" ;
dbp:inchikey "InChIKey=XQTLDIFVVHJORV-UHFFFAOYSA-N" ;
skos:altLabel "2,3,5,6-tetrachloornitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tecnzn" ;
skos:prefLabel "tecnazeen"@nl .
csc:WCIBKXHMIXUQHK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40474 ;
dbo:casNumber "52663-67-9" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40474"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WCIBKXHMIXUQHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB178" ;
skos:prefLabel "2,2',3,3',5,5',6-heptachloorbifenyl"@nl .
csc:RTCOGUMHFFWOJV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:73281 ;
dbo:casNumber "111991-09-4" ;
dbo:formula "C15H18N6O6S" ;
dbo:inchi "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)" ;
dbo:iupacName "2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide"@en ;
dbo:pubchem "73281"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" ;
dbp:inchikey "InChIKey=RTCOGUMHFFWOJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nicsfrn" ;
skos:prefLabel "nicosulfuron"@nl .
csc:PIEXCQIOSMOEOU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61828 ;
dbo:casNumber "16079-88-2" ;
dbo:formula "C5H6BrClN2O2" ;
dbo:inchi "InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3" ;
dbo:iupacName "1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE"@en ;
dbo:pubchem "61828"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)N1Br)Cl)C" ;
dbp:inchikey "InChIKey=PIEXCQIOSMOEOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BCDMH" ;
skos:prefLabel "1-broom-3-chloor-5,5-dimethylhidantoïne"@nl .
csc:IXKVYSRDIVLASR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:121608 ;
dbo:casNumber "29988-16-7" ;
dbo:formula "C22H38O" ;
dbo:inchi "InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3" ;
dbo:iupacName "2,3-dioctylphenol"@en ;
dbo:pubchem "121608"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC" ;
dbp:inchikey "InChIKey=IXKVYSRDIVLASR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC8yFol" ;
skos:prefLabel "2,3-dioctylfenol"@nl .
csc:WURGXGVFSMYFCG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14145 ;
dbo:casNumber "1085-98-9" , "90416-56-1" , "12698-56-5" , "56590-61-5" , "79235-99-7" ;
dbo:formula "C9H11Cl2FN2O2S2" ;
dbo:inchi "InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3" ;
dbo:iupacName "N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)aniline"@en ;
dbo:pubchem "14145"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=WURGXGVFSMYFCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfande" ;
skos:prefLabel "dichlofluanide"@nl .
csc:YTRMTPPVNRALON-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8593 ;
dbo:casNumber "132-60-5" ;
dbo:formula "C16H11NO2" ;
dbo:inchi "InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)" ;
dbo:iupacName "2-Phenylquinoline-4-carboxylic acid"@en ;
dbo:pubchem "8593"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O" ;
dbp:inchikey "InChIKey=YTRMTPPVNRALON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cincfn" ;
skos:prefLabel "cinchofen"@nl .
csc:FXRXQYZZALWWGA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63110 ;
dbo:casNumber "52663-58-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)11-9(14)5-6-10(15)12(11)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-3-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "63110"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FXRXQYZZALWWGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB64" ;
skos:prefLabel "2,3,4',6-tetrachloorbifenyl"@nl .
csc:WMYVHJWZUUEZNE-ARWFNKCKSA-J
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9562061 ;
dbo:casNumber "72-57-1" , "179472-55-0" ;
dbo:formula "C34H24N6Na4O14S4" ;
dbo:inchi "InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-31+,40-32+;;;;" ;
dbo:iupacName "tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "9562061"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])C)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=WMYVHJWZUUEZNE-ARWFNKCKSA-J" ;
skos:altLabel "C.I. Direct Blue 14"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbe14" ;
skos:prefLabel "c.i. direct blue 14"@nl .
csc:WIDHRBRBACOVOY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:36188 ;
dbo:casNumber "32598-14-4" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "36188"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WIDHRBRBACOVOY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,3',4,4'-pentachloorbifenyl (pcb105)"@nl , "2,3,3',4,4'-pentachloorbifenyl"@nl , "pcb 105"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_32598-14-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB105" ;
skos:prefLabel "PCB 105"@nl ;
vcs:vmmParameterId "1369"^^xsd:int .
csc:SSDSCDGVMJFTEQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16386 ;
dbo:casNumber "109265-64-7" , "156511-59-0" , "69093-37-4" , "80693-11-4" , "2082-79-3" , "119764-08-8" ;
dbo:formula "C35H62O3" ;
dbo:inchi "InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3" ;
dbo:iupacName "octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate"@en ;
dbo:pubchem "16386"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=SSDSCDGVMJFTEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18y335DttC4" ;
skos:prefLabel "octadecyl 3-(3,5-di-tert-butyl-4-hydroxyfenyl)propanoaat"@nl .
csc:HGQSXVKHVMGQRG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27681 ;
dbo:casNumber "15231-44-4" , "94410-05-6" ;
dbo:formula "C16H34Sn" ;
dbo:inchi "InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;" ;
dbo:iupacName "dioctyltin"@en ;
dbo:pubchem "27681"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn]CCCCCCCC" ;
dbp:inchikey "InChIKey=HGQSXVKHVMGQRG-UHFFFAOYSA-N" ;
skos:altLabel "dioctyltin (kation)"@nl ;
skos:broader csc:CHEMONTID_0001524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC8ySn" ;
skos:prefLabel "dioctyltin"@nl .
csc:BFCFYVKQTRLZHA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6945 ;
dbo:casNumber "25167-93-5" , "88-73-3" ;
dbo:formula "C6H4ClNO2" ;
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H" ;
dbo:iupacName "1-Chloro-2-nitrobenzene"@en ;
dbo:pubchem "6945"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=BFCFYVKQTRLZHA-UHFFFAOYSA-N" ;
skos:altLabel "1-chloor-2-nitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_88-73-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClNO2Ben" , "1Cl2NO2Ben" ;
skos:prefLabel "chloornitrobenzeen"@nl ;
vcs:vmmParameterId "331"^^xsd:int .
csc:XPDWGBQVDMORPB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6373 ;
dbo:casNumber "185009-29-4" , "75-46-7" ;
dbo:formula "CHF3" ;
dbo:inchi "InChI=1S/CHF3/c2-1(3)4/h1H" ;
dbo:iupacName "Fluoroform"@en ;
dbo:pubchem "6373"^^xsd:int ;
dbo:smiles "C(F)(F)F" ;
dbp:inchikey "InChIKey=XPDWGBQVDMORPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HFK23" ;
skos:prefLabel "trifluormethaan"@nl .
csc:LMQJBFRGXHMNOX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38013 ;
dbo:casNumber "38380-01-7" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-7(9(14)3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38013"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LMQJBFRGXHMNOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB99" ;
skos:prefLabel "2,2',4,4',5-pentachloorbifenyl"@nl .
csc:XEGGRYVFLWGFHI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2314 ;
dbo:casNumber "22781-23-3" ;
dbo:formula "C11H13NO4" ;
dbo:inchi "InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate"@en ;
dbo:pubchem "2314"^^xsd:int ;
dbo:smiles "CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C" ;
dbp:inchikey "InChIKey=XEGGRYVFLWGFHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benDocb" ;
skos:prefLabel "bendiocarb"@nl .
csc:PLDWAJLZAAHOGG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16971 ;
dbo:casNumber "2398-37-0" ;
dbo:formula "C7H7BrO" ;
dbo:inchi "InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3" ;
dbo:iupacName "1-Bromo-3-methoxybenzene"@en ;
dbo:pubchem "16971"^^xsd:int ;
dbo:smiles "COC1=CC(=CC=C1)Br" ;
dbp:inchikey "InChIKey=PLDWAJLZAAHOGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Bransl" ;
skos:prefLabel "3-broomanisol"@nl .
csc:CHEMONTID_0000310
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000310 ;
skos:definition "Polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RGCVKNLCSQQDEP-UHFFFAOYSA-N , csc:ZPEIMTDSQAKGNT-UHFFFAOYSA-N , csc:PWWVAXIEGOYWEE-UHFFFAOYSA-N , csc:PLDUPXSUYLZYBN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000310" ;
skos:prefLabel "Phenothiazines"@en .
csc:LLYXJBROWQDVMI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8491 ;
dbo:casNumber "121-86-8" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3" ;
dbo:iupacName "2-Chloro-1-methyl-4-nitrobenzene"@en ;
dbo:pubchem "8491"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=LLYXJBROWQDVMI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_121-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl4NO2Tol" ;
skos:prefLabel "2-chloor-4-nitrotolueen"@nl ;
vcs:vmmParameterId "772"^^xsd:int .
csc:CHEMONTID_0001935
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001935 ;
skos:definition "Compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CCGPUGMWYLICGL-UHFFFAOYSA-N , csc:DOULWWSSZVEPIN-UHFFFAOYSA-N , csc:IDQHRQQSSQDLTR-UHFFFAOYSA-N , csc:PZIMIYVOZBTARW-UHFFFAOYSA-N , csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N , csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N , csc:WLFDQEVORAMCIM-UHFFFAOYSA-N , csc:GSNZNZUNAJCHDO-UHFFFAOYSA-N , csc:RECCURWJDVZHIH-UHFFFAOYSA-N , csc:LKJPSUCKSLORMF-UHFFFAOYSA-N , csc:XMTQQYYKAHVGBJ-UHFFFAOYSA-N , csc:NLYNUTMZTCLNOO-UHFFFAOYSA-N , csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N , csc:HFCYZXMHUIHAQI-UHFFFAOYSA-N , csc:BYYMILHAKOURNM-UHFFFAOYSA-N , csc:PCKNFPQPGUWFHO-UQRQXUALSA-N , csc:PUIYMUZLKQOUOZ-UHFFFAOYSA-N , csc:ABOVRDBEJDIBMZ-UHFFFAOYSA-N , csc:PWPJGUXAGUPAHP-UHFFFAOYSA-N , csc:XKJMBINCVNINCA-UHFFFAOYSA-N , csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N , csc:GAFWRUXZGSUTHS-UHFFFAOYSA-N , csc:RZILCCPWPBTYDO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001935" ;
skos:prefLabel "N-phenylureas"@en .
csc:VLCYCUFDXXZIOY-ZFGAUFRASA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:165669 ;
dbo:casNumber "8030-53-3" ;
dbo:formula "C38H46O10" ;
dbo:inchi "InChI=1S/C19H24O5.C19H22O5/c2*1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22);5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t2*10-,11+,12-,13+,14+,17+,18-,19+/m00/s1" ;
dbo:iupacName "(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid;(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid"@en ;
dbo:pubchem "165669"^^xsd:int ;
dbo:smiles "CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O.CC12C(C=CC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O" ;
dbp:inchikey "InChIKey=VLCYCUFDXXZIOY-ZFGAUFRASA-N" ;
skos:broader csc:CHEMONTID_0004013 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gebbrlne" ;
skos:prefLabel "gibberelline"@nl .
csc:IMIDOCRTMDIQIJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16247 ;
dbo:casNumber "2032-59-9" ;
dbo:formula "C11H16N2O2" ;
dbo:inchi "InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)" ;
dbo:iupacName "(4-dimethylamino-3-methylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16247"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OC(=O)NC)N(C)C" ;
dbp:inchikey "InChIKey=IMIDOCRTMDIQIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Aocb" ;
skos:prefLabel "aminocarb"@nl .
csc:UWEZBKLLMKVIPI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9492 ;
dbo:casNumber "329-71-5" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "['5-(dihydroxyamino)-2-nitrophenol', '2-(dihydroxyamino)-5-nitrophenol', '2,5-DINITROPHENOL']"@en ;
dbo:pubchem "9492"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UWEZBKLLMKVIPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DNO2Fol" ;
skos:prefLabel "2,5-dinitrofenol"@nl .
csc:LTPSRQRIPCVMKQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6934 ;
dbo:casNumber "88-44-8" ;
dbo:formula "C7H9NO3S" ;
dbo:inchi "InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)" ;
dbo:iupacName "2-Amino-5-methylbenzenesulfonic acid"@en ;
dbo:pubchem "6934"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=LTPSRQRIPCVMKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao5C1yBensf" ;
skos:prefLabel "2-amino-5-methylbenzeensulfonzuur"@nl .
csc:CFVWNXQPGQOHRJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7819 ;
dbo:casNumber "106-63-8" ;
dbo:formula "C7H12O2" ;
dbo:inchi "InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3" ;
dbo:iupacName "2-methylpropyl prop-2-enoate"@en ;
dbo:pubchem "7819"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C=C" ;
dbp:inchikey "InChIKey=CFVWNXQPGQOHRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yaclt" ;
skos:prefLabel "isobutylacrylaat"@nl .
csc:ZYHMJXZULPZUED-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4936 ;
dbo:casNumber "60098-53-5" , "2312-35-8" ;
dbo:formula "C19H26O4S" ;
dbo:inchi "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3" ;
dbo:iupacName "[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite"@en ;
dbo:pubchem "4936"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C" ;
dbp:inchikey "InChIKey=ZYHMJXZULPZUED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propgt" ;
skos:prefLabel "propargiet"@nl .
csc:BDFAOUQQXJIZDG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10558 ;
dbo:casNumber "513-44-0" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-Methylpropane-1-thiol"@en ;
dbo:pubchem "10558"^^xsd:int ;
dbo:smiles "CC(C)CS" ;
dbp:inchikey "InChIKey=BDFAOUQQXJIZDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1C3atol" ;
skos:prefLabel "2-methyl-1-propaanthiol"@nl .
csc:LCZUOKDVTBMCMX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31252 ;
dbo:casNumber "123-32-0" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3" ;
dbo:iupacName "2,5-Dimethylpyrazine"@en ;
dbo:pubchem "31252"^^xsd:int ;
dbo:smiles "CC1=CN=C(C=N1)C" ;
dbp:inchikey "InChIKey=LCZUOKDVTBMCMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yprzne" ;
skos:prefLabel "2,5-dimethylpyrazine"@nl .
csc:LRHPLDYGYMQRHN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:263 ;
dbo:casNumber "42031-19-6" , "71-36-3" , "220713-25-7" , "14254-05-8" , "107569-51-7" , "35296-72-1" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3" ;
dbo:iupacName "Butan-1-ol"@en ;
dbo:pubchem "263"^^xsd:int ;
dbo:smiles "CCCCO" ;
dbp:inchikey "InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_009 ;
skos:altLabel "n-butanol"@nl ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4ol" ;
skos:prefLabel "butanol"@nl .
csc:RJWUMFHQJJBBOD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15265 ;
dbo:casNumber "1560-89-0" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3" ;
dbo:iupacName "2-METHYLHEPTADECANE"@en ;
dbo:pubchem "15265"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=RJWUMFHQJJBBOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC17a" ;
skos:prefLabel "2-methylheptadecaan"@nl .
csc:NPWMZOGDXOFZIN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20105 ;
dbo:casNumber "4147-51-7" ;
dbo:formula "C11H21N5S" ;
dbo:inchi "InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "6-ethylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "20105"^^xsd:int ;
dbo:smiles "CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C" ;
dbp:inchikey "InChIKey=NPWMZOGDXOFZIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004637 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dprtn" ;
skos:prefLabel "dipropetryn"@nl .
csc:BKVIYDNLLOSFOA-YPZZEJLDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6337071 ;
dbo:casNumber "15720-57-7" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1-2" ;
dbo:iupacName "thallium-202"@en ;
dbo:pubchem "6337071"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "InChIKey=BKVIYDNLLOSFOA-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl202" ;
skos:prefLabel "thallium 202"@nl .
csc:ITVQAKZNYJEWKS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33500 ;
dbo:casNumber "26399-36-0" , "52002-14-9" , "12676-46-9" , "11096-25-6" ;
dbo:formula "C14H16F3N3O4" ;
dbo:inchi "InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3" ;
dbo:iupacName "N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "33500"^^xsd:int ;
dbo:smiles "CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ITVQAKZNYJEWKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "profrlne" ;
skos:prefLabel "profluraline"@nl .
csc:SYJFEGQWDCRVNX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6795 ;
dbo:casNumber "2764-72-9" ;
dbo:formula "C12H12N2+2" ;
dbo:inchi "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene"@en ;
dbo:pubchem "6795"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31" ;
dbp:inchikey "InChIKey=SYJFEGQWDCRVNX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dqt" ;
skos:prefLabel "diquat"@nl .
csc:SIEILFNCEFEENQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12433 ;
dbo:casNumber "631-64-1" ;
dbo:formula "C2H2Br2O2" ;
dbo:inchi "InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)" ;
dbo:iupacName "2,2-dibromoacetic acid"@en ;
dbo:pubchem "12433"^^xsd:int ;
dbo:smiles "C(C(=O)O)(Br)Br" ;
dbp:inchikey "InChIKey=SIEILFNCEFEENQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrHAc" ;
skos:prefLabel "dibroomazijnzuur"@nl .
csc:IIBYAHWJQTYFKB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39042 ;
dbo:casNumber "41859-67-0" ;
dbo:formula "C19H20ClNO4" ;
dbo:inchi "InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)" ;
dbo:iupacName "2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid"@en ;
dbo:pubchem "39042"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=IIBYAHWJQTYFKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:exactMatch wise:CAS_41859-67-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bezafbt" ;
skos:prefLabel "bezafibraat"@nl ;
vcs:vmmParameterId "1395"^^xsd:int .
csc:ICNFHJVPAJKPHW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8765 ;
dbo:casNumber "139-65-1" ;
dbo:formula "C12H12N2S" ;
dbo:inchi "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)sulfanylaniline"@en ;
dbo:pubchem "8765"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)SC2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=ICNFHJVPAJKPHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44thiobBenAe" ;
skos:prefLabel "4,4'-thiobisbenzeenamine"@nl .
csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5284469 ;
dbo:casNumber "8001-35-2" ;
dbo:formula "C10H8Cl8" ;
dbo:inchi "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2" ;
dbo:iupacName "1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane"@en ;
dbo:pubchem "5284469"^^xsd:int ;
dbo:smiles "C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl" ;
dbp:inchikey "InChIKey=OEJNXTAZZBRGDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:exactMatch wise:CAS_8001-35-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toxafn" ;
skos:prefLabel "toxafeen"@nl ;
vcs:vmmParameterId "267"^^xsd:int .
csc:XPJVKCRENWUEJH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20240 ;
dbo:casNumber "4247-02-3" ;
dbo:formula "C11H14O3" ;
dbo:inchi "InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3" ;
dbo:iupacName "2-Methylpropyl 4-hydroxybenzoate"@en ;
dbo:pubchem "20240"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=XPJVKCRENWUEJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yprbn" ;
skos:prefLabel "isobutylparabeen"@nl .
csc:CHEMONTID_0000198
skos:narrower csc:FLASNYPZGWUPSU-SICDJOISSA-N , csc:DBTMGCOVALSLOR-VPNXCSTESA-N .
csc:ZONYAPYTDIVJGG-VLGSPTGOSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5858445 ;
dbo:casNumber "104407-03-6" , "842-07-9" ;
dbo:formula "C16H12N2O" ;
dbo:inchi "InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16-" ;
dbo:iupacName "['1-(phenylhydrazinylidene)naphthalen-2-one', '(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one']"@en ;
dbo:pubchem "5858445"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32" ;
dbp:inchikey "InChIKey=ZONYAPYTDIVJGG-VLGSPTGOSA-N" ;
skos:altLabel "c.i. solvent yellow 14"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisyw14" ;
skos:prefLabel "C.I. Solvent Yellow 14"@nl .
csc:QHOQHJPRIBSPCY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34526 ;
dbo:casNumber "29232-93-7" ;
dbo:formula "C11H20N3O3PS" ;
dbo:inchi "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine"@en ;
dbo:pubchem "34526"^^xsd:int ;
dbo:smiles "CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C" ;
dbp:inchikey "InChIKey=QHOQHJPRIBSPCY-UHFFFAOYSA-N" ;
skos:altLabel "pirimiphos-methyl"@nl , "pirimifos-methyl"@nl ;
skos:broader csc:CHEMONTID_0004771 ;
skos:exactMatch wise:CAS_29232-93-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yprmfs" ;
skos:prefLabel "methylpirimifos"@nl ;
vcs:vmmParameterId "678"^^xsd:int .
csc:VSCUCHUDCLERMY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17586 ;
dbo:casNumber "2679-87-0" , "19316-73-5" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3" ;
dbo:iupacName "2-ETHOXYBUTANE"@en ;
dbo:pubchem "17586"^^xsd:int ;
dbo:smiles "CCC(C)OCC" ;
dbp:inchikey "InChIKey=VSCUCHUDCLERMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2oxC4a" ;
skos:prefLabel "2-ethoxybutaan"@nl .
csc:CHEMONTID_0001346
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001346 ;
skos:definition "Organic compounds containing a five-member heterocyclic compound with five nitrogen atoms, and two nitrogen atoms at positions 1 and 2 (Pyridazines), 1 and 3 (Pyrimidines), or 1 and 4 (Pyrazines)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001346" ;
skos:prefLabel "Diazines"@en .
csc:CHEMONTID_0004322
skos:narrower csc:LFZGYTBWUHCAKF-DCNJEFSFSA-N , csc:KDLRVYVGXIQJDK-NOWPCOIGSA-N .
csc:XESZUVZBAMCAEJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7381 ;
dbo:casNumber "98-29-3" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3" ;
dbo:iupacName "4-tert-butylbenzene-1,2-diol"@en ;
dbo:pubchem "7381"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)O" ;
dbp:inchikey "InChIKey=XESZUVZBAMCAEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yprctcl" ;
skos:prefLabel "4-tert-butylpyrocatechol"@nl .
csc:CHEMONTID_0000262
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000262 ;
skos:definition "Aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000262" ;
skos:prefLabel "Fatty acids and conjugates"@en .
csc:HDGQICNBXPAKLR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11511 ;
dbo:casNumber "90622-56-3" , "589-43-5" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylhexane"@en ;
dbo:pubchem "11511"^^xsd:int ;
dbo:smiles "CCC(C)CC(C)C" ;
dbp:inchikey "InChIKey=HDGQICNBXPAKLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC6a" ;
skos:prefLabel "2,4-dimethylhexaan"@nl .
csc:XNNQFQFUQLJSQT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6383 ;
dbo:casNumber "75-62-7" ;
dbo:formula "CBrCl3" ;
dbo:inchi "InChI=1S/CBrCl3/c2-1(3,4)5" ;
dbo:iupacName "bromo-trichloromethane"@en ;
dbo:pubchem "6383"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)(Cl)Br" ;
dbp:inchikey "InChIKey=XNNQFQFUQLJSQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrTClC1a" ;
skos:prefLabel "broomtrichloormethaan"@nl .
csc:XSNQECSCDATQEL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29096 ;
dbo:casNumber "18479-58-8" , "25279-08-7" ;
dbo:formula "C10H20O" ;
dbo:inchi "InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3" ;
dbo:iupacName "2,6-Dimethyloct-7-en-2-ol"@en ;
dbo:pubchem "29096"^^xsd:int ;
dbo:smiles "CC(CCCC(C)(C)O)C=C" ;
dbp:inchikey "InChIKey=XSNQECSCDATQEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHmcnl" ;
skos:prefLabel "dihydromyrcenol"@nl .
csc:XOPFESVZMSQIKC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73282 ;
dbo:casNumber "135100-29-7" , "82097-50-5" ;
dbo:formula "C14H16ClN5O5S" ;
dbo:inchi "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)" ;
dbo:iupacName "1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea"@en ;
dbo:pubchem "73282"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl" ;
dbp:inchikey "InChIKey=XOPFESVZMSQIKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tasfrn" ;
skos:prefLabel "triasulfuron"@nl .
csc:PZOUSPYUWWUPPK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:85282 ;
dbo:casNumber "16096-32-5" ;
dbo:formula "C9H9N" ;
dbo:inchi "InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3" ;
dbo:iupacName "4-methyl-1H-indole"@en ;
dbo:pubchem "85282"^^xsd:int ;
dbo:smiles "CC1=C2C=CNC2=CC=C1" ;
dbp:inchikey "InChIKey=PZOUSPYUWWUPPK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yidl" ;
skos:prefLabel "4-methylindol"@nl .
csc:YKFRAOGHWKADFJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8809 ;
dbo:casNumber "140-57-8" ;
dbo:formula "C15H23ClO4S" ;
dbo:inchi "InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3" ;
dbo:iupacName "1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite"@en ;
dbo:pubchem "8809"^^xsd:int ;
dbo:smiles "CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl" ;
dbp:inchikey "InChIKey=YKFRAOGHWKADFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "armt" ;
skos:prefLabel "aramit"@nl .
csc:XLROVYAPLOFLNU-IGMARMGPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:105147 ;
dbo:casNumber "14331-85-2" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1+0" ;
dbo:iupacName "protactinium-231"@en ;
dbo:pubchem "105147"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "InChIKey=XLROVYAPLOFLNU-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa231" ;
skos:prefLabel "protactinium 231"@nl .
csc:NGAZZOYFWWSOGK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7802 ;
dbo:casNumber "106-35-4" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Heptan-3-one"@en ;
dbo:pubchem "7802"^^xsd:int ;
dbo:smiles "CCCCC(=O)CC" ;
dbp:inchikey "InChIKey=NGAZZOYFWWSOGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C7on" ;
skos:prefLabel "3-heptanon"@nl .
csc:FAGUFWYHJQFNRV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8197 ;
dbo:casNumber "112-57-2" , "115254-44-9" ;
dbo:formula "C8H23N5" ;
dbo:inchi "InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2" ;
dbo:iupacName "N'-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine"@en ;
dbo:pubchem "8197"^^xsd:int ;
dbo:smiles "C(CNCCNCCNCCN)N" ;
dbp:inchikey "InChIKey=FAGUFWYHJQFNRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yePeAe" ;
skos:prefLabel "tetraethyleenpentamine"@nl .
csc:OBTWBSRJZRCYQV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17607 ;
dbo:casNumber "2699-79-8" ;
dbo:formula "F2O2S" ;
dbo:inchi "InChI=1S/F2O2S/c1-5(2,3)4" ;
dbo:iupacName "Sulfuryl difluoride"@en ;
dbo:pubchem "17607"^^xsd:int ;
dbo:smiles "O=S(=O)(F)F" ;
dbp:inchikey "InChIKey=OBTWBSRJZRCYQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfrF" ;
skos:prefLabel "sulfurylfluoride"@nl .
csc:DCKVNWZUADLDEH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7758 ;
dbo:casNumber "116698-48-7" , "105-46-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "butan-2-yl acetate"@en ;
dbo:pubchem "7758"^^xsd:int ;
dbo:smiles "CCC(C)OC(=O)C" ;
dbp:inchikey "InChIKey=DCKVNWZUADLDEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secC4yactt" ;
skos:prefLabel "sec-butylacetaat"@nl .
csc:ZFXYFBGIUFBOJW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2153 ;
dbo:casNumber "75448-53-2" , "56645-32-0" , "46157-00-0" , "58-55-9" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)" ;
dbo:iupacName "1,3-dimethyl-7H-purine-2,6-dione"@en ;
dbo:pubchem "2153"^^xsd:int ;
dbo:smiles "CN1C2=C(C(=O)N(C1=O)C)NC=N2" ;
dbp:inchikey "InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "theoplne" ;
skos:prefLabel "theophylline"@nl .
csc:QHGVXILFMXYDRS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93460 ;
dbo:casNumber "77458-01-6" , "89784-60-1" ;
dbo:formula "C14H18ClN2O3PS" ;
dbo:inchi "InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3" ;
dbo:iupacName "1-(4-chlorophenyl)-4-(ethoxy-propylsulfanylphosphoryl)oxypyrazole"@en ;
dbo:pubchem "93460"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=QHGVXILFMXYDRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrcfs" ;
skos:prefLabel "pyraclofos"@nl .
csc:CHEMONTID_0002552
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002552 ;
skos:definition "Quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N , csc:ALZOLUNSQWINIR-UHFFFAOYSA-N , csc:SUIQUYDRLGGZOL-RCWTXCDDSA-N , csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N , csc:OGJPXUAPXNRGGI-UHFFFAOYSA-N , csc:BPFYOAJNDMUVBL-UHFFFAOYSA-N , csc:GSDSWSVVBLHKDQ-UHFFFAOYSA-N , csc:DPSPPJIUMHPXMA-UHFFFAOYSA-N , csc:FFSSWMQPCJRCRV-UHFFFAOYSA-N , csc:CABMTIJINOIHOD-UHFFFAOYSA-N , csc:QMLVECGLEOSESV-RYUDHWBXSA-N , csc:KYGZCKSPAKDVKC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002552" ;
skos:prefLabel "Quinoline carboxylic acids"@en .
csc:NURQLCJSMXZBPC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11417 ;
dbo:casNumber "583-58-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3" ;
dbo:iupacName "3,4-Dimethylpyridine"@en ;
dbo:pubchem "11417"^^xsd:int ;
dbo:smiles "CC1=C(C=NC=C1)C" ;
dbp:inchikey "InChIKey=NURQLCJSMXZBPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yprdne" ;
skos:prefLabel "3,4-dimethylpyridine"@nl .
csc:OHPZPBNDOVQJMH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6637 ;
dbo:casNumber "825629-31-0" , "8047-99-2" , "80-39-7" ;
dbo:formula "C9H13NO2S" ;
dbo:inchi "InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3" ;
dbo:iupacName "N-Ethyl-4-methylbenzenesulfonamide"@en ;
dbo:pubchem "6637"^^xsd:int ;
dbo:smiles "CCNS(=O)(=O)C1=CC=C(C=C1)C" ;
dbp:inchikey "InChIKey=OHPZPBNDOVQJMH-UHFFFAOYSA-N" ;
skos:altLabel "n-ethyl-4-methylbenzeensulfonamide"@nl ;
skos:broader csc:CHEMONTID_0004517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC2y4C1yBens" ;
skos:prefLabel "N-ethyl-4-methylbenzeensulfonamide"@nl .
csc:CKBRQZNRCSJHFT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23913 ;
dbo:casNumber "7429-92-7" ;
dbo:formula "Es" ;
dbo:inchi "InChI=1S/Es" ;
dbo:iupacName "EINSTEINIUM"@en ;
dbo:pubchem "23913"^^xsd:int ;
dbo:smiles "[Es]" ;
dbp:inchikey "InChIKey=CKBRQZNRCSJHFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Es" ;
skos:prefLabel "einsteinium"@nl .
csc:KJTLSVCANCCWHF-BKFZFHPZSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26359 ;
dbo:casNumber "13967-48-1" ;
dbo:formula "Ru" ;
dbo:inchi "InChI=1S/Ru/i1+5" ;
dbo:iupacName "ruthenium-106"@en ;
dbo:pubchem "26359"^^xsd:int ;
dbo:smiles "[Ru]" ;
dbp:inchikey "InChIKey=KJTLSVCANCCWHF-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ru106" ;
skos:prefLabel "ruthenium 106"@nl .
csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8881 ;
dbo:casNumber "142-28-9" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2" ;
dbo:iupacName "1,3-Dichloropropane"@en ;
dbo:pubchem "8881"^^xsd:int ;
dbo:smiles "C(CCl)CCl" ;
dbp:inchikey "InChIKey=YHRUOJUYPBUZOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_142-28-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DClC3a" ;
skos:prefLabel "1,3-dichloorpropaan"@nl ;
vcs:vmmParameterId "325"^^xsd:int .
csc:CHEMONTID_0002467
skos:narrower csc:OWBTYPJTUOEWEK-ZXZARUISSA-N , csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N , csc:DNIAPMSPPWPWGF-UHFFFAOYSA-N .
csc:BOFHKBLZOYVHSI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9300 ;
dbo:casNumber "299-86-5" ;
dbo:formula "C12H19ClNO3P" ;
dbo:inchi "InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine"@en ;
dbo:pubchem "9300"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl" ;
dbp:inchikey "InChIKey=BOFHKBLZOYVHSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crfmt" ;
skos:prefLabel "crufomaat"@nl .
csc:RSMUVYRMZCOLBH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:52999 ;
dbo:casNumber "74223-64-6" , "82197-07-7" ;
dbo:formula "C14H15N5O6S" ;
dbo:inchi "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)" ;
dbo:iupacName "methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "52999"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" ;
dbp:inchikey "InChIKey=RSMUVYRMZCOLBH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ymsfrn" ;
skos:prefLabel "methyl-metsulfuron"@nl .
csc:ZUHZGEOKBKGPSW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8925 ;
dbo:casNumber "70992-84-6" , "143-24-8" ;
dbo:formula "C10H22O5" ;
dbo:inchi "InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3" ;
dbo:iupacName "1-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethane"@en ;
dbo:pubchem "8925"^^xsd:int ;
dbo:smiles "COCCOCCOCCOCCOC" ;
dbp:inchikey "InChIKey=ZUHZGEOKBKGPSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TEGDME" ;
skos:prefLabel "tetraethyleenglycoldimethylether"@nl .
csc:UREACWLAXSOUKG-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66943 ;
dbo:casNumber "107-26-6" ;
dbo:formula "C2H5BrHg" ;
dbo:inchi "InChI=1S/C2H5.BrH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1" ;
dbo:iupacName "bromo-ethylmercury"@en ;
dbo:pubchem "66943"^^xsd:int ;
dbo:smiles "CC[Hg]Br" ;
dbp:inchikey "InChIKey=UREACWLAXSOUKG-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yHgBr" ;
skos:prefLabel "ethylkwikbromide"@nl .
csc:YGULWPYYGQCFMP-CEAXSRTFSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:441308 ;
dbo:casNumber "71307-49-8" , "55250-54-9" , "60168-92-5" , "74220-04-5" , "56392-17-7" ;
dbo:formula "C34H56N2O12" ;
dbo:inchi "InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1" ;
dbo:iupacName "(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "441308"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O" ;
dbp:inchikey "InChIKey=YGULWPYYGQCFMP-CEAXSRTFSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "metoprololtartraat"@nl .
csc:WJGPNUBJBMCRQH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15278 ;
dbo:casNumber "1563-38-8" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3" ;
dbo:iupacName "2,2-dimethyl-3H-1-benzofuran-7-ol"@en ;
dbo:pubchem "15278"^^xsd:int ;
dbo:smiles "CC1(CC2=C(O1)C(=CC=C2)O)C" ;
dbp:inchikey "InChIKey=WJGPNUBJBMCRQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfrFol" ;
skos:prefLabel "carbofuran-fenol"@nl .
csc:BSKHPKMHTQYZBB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7975 ;
dbo:casNumber "82005-07-0" , "109-06-8" , "45505-34-8" , "52962-96-6" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3" ;
dbo:iupacName "2-Methylpyridine"@en ;
dbo:pubchem "7975"^^xsd:int ;
dbo:smiles "CC1=CC=CC=N1" ;
dbp:inchikey "InChIKey=BSKHPKMHTQYZBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yprdne" ;
skos:prefLabel "2-methylpyridine"@nl .
csc:UOHMMEJUHBCKEE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10263 ;
dbo:casNumber "488-23-3" , "25619-60-7" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3" ;
dbo:iupacName "1,2,3,4-TETRAMETHYLBENZENE"@en ;
dbo:pubchem "10263"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)C)C)C" ;
dbp:inchikey "InChIKey=UOHMMEJUHBCKEE-UHFFFAOYSA-N" ;
skos:altLabel "1,2,3,4-tetramethylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4C1yBen" , "T4C1yBen" ;
skos:prefLabel "tetramethylbenzeen"@nl .
csc:PRGQOPPDPVELEG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:83852 ;
dbo:casNumber "35079-97-1" ;
dbo:formula "C15H14N2O3" ;
dbo:inchi "InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)" ;
dbo:iupacName "5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "83852"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(C(C3=CC=CC=C3N2C(=O)N)O)O" ;
dbp:inchikey "InChIKey=PRGQOPPDPVELEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1011cDolcarb" ;
skos:prefLabel "10,11-cisdiol carbamazepine"@nl .
csc:JCXGWMGPZLAOME-OUBTZVSYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6328547 ;
dbo:casNumber "14331-79-4" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+1" ;
dbo:iupacName "bismuth-210"@en ;
dbo:pubchem "6328547"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi210" ;
skos:prefLabel "bismuth 210"@nl .
csc:KSEZPRJUTHMFGZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6930 ;
dbo:casNumber "1401-76-9" , "88-29-9" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3" ;
dbo:iupacName "1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "6930"^^xsd:int ;
dbo:smiles "CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C" ;
dbp:inchikey "InChIKey=KSEZPRJUTHMFGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verslde" ;
skos:prefLabel "versalide"@nl .
csc:HKOIXWVRNLGFOR-YANNOFPNSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359402 ;
dbo:casNumber "467-15-2" ;
dbo:formula "C17H19NO3" ;
dbo:inchi "InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1" ;
dbo:iupacName "(4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol"@en ;
dbo:pubchem "5359402"^^xsd:int ;
dbo:smiles "COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1" ;
dbp:inchikey "InChIKey=HKOIXWVRNLGFOR-YANNOFPNSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norcdine" ;
skos:prefLabel "norcodeïne"@nl .
csc:FFCCBBNQPIMUJI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54744 ;
dbo:casNumber "81405-85-8" , "153703-73-2" , "69969-22-8" ;
dbo:formula "C16H20N2O3" ;
dbo:inchi "InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)" ;
dbo:iupacName "methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate"@en ;
dbo:pubchem "54744"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C" ;
dbp:inchikey "InChIKey=FFCCBBNQPIMUJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzmtbzC1y" ;
skos:prefLabel "imazamethabenz-methyl"@nl .
csc:WZJZMXBKUWKXTQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24743 ;
dbo:casNumber "13684-56-5" ;
dbo:formula "C16H16N2O4" ;
dbo:inchi "InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)" ;
dbo:iupacName "[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate"@en ;
dbo:pubchem "24743"^^xsd:int ;
dbo:smiles "CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=WZJZMXBKUWKXTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desmdfm" ;
skos:prefLabel "desmedifam"@nl .
csc:RDYMFSUJUZBWLH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3224 ;
dbo:casNumber "115-29-7" , "8003-45-0" , "6994-04-3" ;
dbo:formula "C9H6Cl6O3S" ;
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en ;
dbo:pubchem "3224"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RDYMFSUJUZBWLH-UHFFFAOYSA-N" ;
skos:altLabel "α-endosulfan"@nl , "endosulfan (som alfa- en beta-isomeer)"@nl ;
skos:broader csc:CHEMONTID_0002074 ;
skos:exactMatch wise:CAS_115-29-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfn" ;
skos:prefLabel "alfa+beta endosulfan"@nl ;
vcs:vmmParameterId "1204"^^xsd:int .
csc:KJDRSWPQXHESDQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8059 ;
dbo:casNumber "51104-87-1" , "110-56-5" ;
dbo:formula "C4H8Cl2" ;
dbo:inchi "InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2" ;
dbo:iupacName "['1,4-dichlorobuta-1,3-diyne', '1,4-Dichlorobutane']"@en ;
dbo:pubchem "8059"^^xsd:int ;
dbo:smiles "C(CCCl)CCl" ;
dbp:inchikey "InChIKey=KJDRSWPQXHESDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DClC4a" ;
skos:prefLabel "1,4-dichloorbutaan"@nl .
csc:FPCCDPXRNNVUOM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:249494 ;
dbo:casNumber "107-74-4" ;
dbo:formula "C10H22O2" ;
dbo:inchi "InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3" ;
dbo:iupacName "3,7-Dimethyloctane-1,7-diol"@en ;
dbo:pubchem "249494"^^xsd:int ;
dbo:smiles "CC(CCCC(C)(C)O)CCO" ;
dbp:inchikey "InChIKey=FPCCDPXRNNVUOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "37DC1y17C8aD" ;
skos:prefLabel "3,7-dimethyl-1,7-octaandiol"@nl .
csc:RXZBMPWDPOLZGW-KMAKEOJNSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9567573 ;
dbo:casNumber "80214-83-1" ;
dbo:formula "C41H76N2O15" ;
dbo:inchi "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-(4-dimethylamino-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one"@en ;
dbo:pubchem "9567573"^^xsd:int ;
dbo:smiles "CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O" ;
dbp:inchikey "InChIKey=RXZBMPWDPOLZGW-KMAKEOJNSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "roxtmcne" ;
skos:prefLabel "roxitromycine"@nl .
csc:CHEMONTID_0002446
skos:narrower csc:KFSLWBXXFJQRDL-UHFFFAOYSA-N .
csc:CHEMONTID_0004189
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004189 ;
skos:definition "Compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IRCMYGHHKLLGHV-UHFFFAOYSA-N , csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N , csc:HAWJXYBZNNRMNO-UHFFFAOYSA-N , csc:RHSUJRQZTQNSLL-UHFFFAOYSA-N , csc:FYZBOYWSHKHDMT-UHFFFAOYSA-N , csc:JLQUFIHWVLZVTJ-UHFFFAOYSA-N , csc:WJGPNUBJBMCRQH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004189" ;
skos:prefLabel "Coumarans"@en .
csc:CHEMONTID_0001845
skos:narrower csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N , csc:CYRHBNRLQMLULE-UHFFFAOYSA-N , csc:RZXIRSKYBISPGF-UHFFFAOYSA-N , csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N , csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N , csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N , csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N , csc:ARERIMFZYPFJAV-UHFFFAOYSA-N , csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N , csc:OJMHGSMSQZEBFH-UHFFFAOYSA-N , csc:WHPVYXDFIXRKLN-UHFFFAOYSA-N , csc:JDUYPUMQALQRCN-UHFFFAOYSA-N .
csc:VLCQZHSMCYCDJL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153909 ;
dbo:casNumber "101200-48-0" ;
dbo:formula "C15H17N5O6S" ;
dbo:inchi "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)" ;
dbo:iupacName "methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate"@en ;
dbo:pubchem "153909"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC" ;
dbp:inchikey "InChIKey=VLCQZHSMCYCDJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TbnrC1y" ;
skos:prefLabel "tribenuronmethyl"@nl .
csc:GYKSIQWGEZQNEA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:185342 ;
dbo:casNumber "94410-07-8" ;
dbo:formula "C8H17Sn+3" ;
dbo:inchi "InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q;+3" ;
dbo:iupacName "octyltin"@en ;
dbo:pubchem "185342"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn+3]" ;
dbp:inchikey "InChIKey=GYKSIQWGEZQNEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001523 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC8ySn" ;
skos:prefLabel "monooctyltin (kation)"@nl .
csc:FDZZZRQASAIRJF-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11294 ;
dbo:casNumber "55172-50-4" , "569-64-2" , "10309-95-2" ;
dbo:formula "C23H25ClN2" ;
dbo:inchi "InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "[4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium chloride"@en ;
dbo:pubchem "11294"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]" ;
dbp:inchikey "InChIKey=FDZZZRQASAIRJF-UHFFFAOYSA-M" ;
skos:altLabel "c.i. basic green 4"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cibgn4" ;
skos:prefLabel "C.I. Basic Green 4"@nl .
csc:CHEMONTID_0000135
skos:narrower csc:YCIMNLLNPGFGHC-UHFFFAOYSA-N .
csc:NQMRYBIKMRVZLB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11637 ;
dbo:casNumber "135862-86-1" , "593-51-1" , "865-30-5" ;
dbo:formula "CH6ClN" ;
dbo:inchi "InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H" ;
dbo:iupacName "methylazanium chloride"@en ;
dbo:pubchem "11637"^^xsd:int ;
dbo:smiles "C[NH3+].[Cl-]" ;
dbp:inchikey "InChIKey=NQMRYBIKMRVZLB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yAeHCl" ;
skos:prefLabel "methylamine hydrochloride"@nl .
csc:RHUYHJGZWVXEHW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5976 ;
dbo:casNumber "88733-28-2" , "57-14-7" ;
dbo:formula "C2H8N2" ;
dbo:inchi "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3" ;
dbo:iupacName "1,1-Dimethylhydrazine"@en ;
dbo:pubchem "5976"^^xsd:int ;
dbo:smiles "CN(C)N" ;
dbp:inchikey "InChIKey=RHUYHJGZWVXEHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DC1yhdzne" ;
skos:prefLabel "1,1-dimethylhydrazine"@nl .
csc:CYXIKYKBLDZZNW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6408 ;
dbo:casNumber "75-88-7" ;
dbo:formula "C2H2ClF3" ;
dbo:inchi "InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "2-Chloro-1,1,1-trifluoroethane"@en ;
dbo:pubchem "6408"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=CYXIKYKBLDZZNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK133a" ;
skos:prefLabel "2-chloor-1,1,1-trifluorethaan"@nl .
csc:WDFQBORIUYODSI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7807 ;
dbo:casNumber "106-40-1" , "55777-84-9" ;
dbo:formula "C6H6BrN" ;
dbo:inchi "InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" ;
dbo:iupacName "4-Bromoaniline"@en ;
dbo:pubchem "7807"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)Br" ;
dbp:inchikey "InChIKey=WDFQBORIUYODSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4BrAn" ;
skos:prefLabel "4-broomaniline"@nl .
csc:IITCWRFYJWUUPC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8693 ;
dbo:casNumber "136-45-8" , "114308-72-4" ;
dbo:formula "C13H17NO4" ;
dbo:inchi "InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3" ;
dbo:iupacName "DIPROPYL PYRIDINE-2,5-DICARBOXYLATE"@en ;
dbo:pubchem "8693"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC" ;
dbp:inchikey "InChIKey=IITCWRFYJWUUPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yiccmrnt" ;
skos:prefLabel "dipropyl-isocinchomeronaat"@nl .
csc:WXNZYYXXILQTKX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27999 ;
dbo:casNumber "16709-30-1" ;
dbo:formula "C12H13NO4" ;
dbo:inchi "InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)" ;
dbo:iupacName "(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "27999"^^xsd:int ;
dbo:smiles "CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C" ;
dbp:inchikey "InChIKey=WXNZYYXXILQTKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000301 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ketcbfrn" ;
skos:prefLabel "3-ketocarbofuraan"@nl .
csc:RZKKOBGFCAHLCZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6977 ;
dbo:casNumber "89-61-2" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H" ;
dbo:iupacName "1,4-Dichloro-2-nitrobenzene"@en ;
dbo:pubchem "6977"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=RZKKOBGFCAHLCZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-61-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClNO2Ben" ;
skos:prefLabel "2,5-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "775"^^xsd:int .
csc:QXISTPDUYKNPLU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11121 ;
dbo:casNumber "553-94-6" ;
dbo:formula "C8H9Br" ;
dbo:inchi "InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2-Bromo-1,4-dimethylbenzene"@en ;
dbo:pubchem "11121"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)Br" ;
dbp:inchikey "InChIKey=QXISTPDUYKNPLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Br14DC1yBen" ;
skos:prefLabel "2-broom-1,4-dimethylbenzeen"@nl .
csc:CHEMONTID_0000676
skos:narrower csc:ZDZOTLJHXYCWBA-VCVYQWHSSA-N , csc:RCINICONZNJXQF-VAZQATRQSA-N .
csc:SZYJELPVAFJOGJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11649 ;
dbo:casNumber "593-81-7" ;
dbo:formula "C3H10ClN" ;
dbo:inchi "InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H" ;
dbo:iupacName "N,N-dimethylmethanamine hydrochloride"@en ;
dbo:pubchem "11649"^^xsd:int ;
dbo:smiles "C[NH+](C)C.[Cl-]" ;
dbp:inchikey "InChIKey=SZYJELPVAFJOGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yNH4Cl" ;
skos:prefLabel "trimethylammoniumchloride"@nl .
csc:BXEHUCNTIZGSOJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91740 ;
dbo:casNumber "85785-20-2" ;
dbo:formula "C15H23NOS" ;
dbo:inchi "InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3" ;
dbo:iupacName "S-(phenylmethyl) (ethyl-(3-methylbutan-2-yl)amino)methanethioate"@en ;
dbo:pubchem "91740"^^xsd:int ;
dbo:smiles "CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=BXEHUCNTIZGSOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "espcb" ;
skos:prefLabel "esprocarb"@nl .
csc:SUSRORUBZHMPCO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39230 ;
dbo:casNumber "42576-02-3" ;
dbo:formula "C14H9Cl2NO5" ;
dbo:inchi "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3" ;
dbo:iupacName "Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate"@en ;
dbo:pubchem "39230"^^xsd:int ;
dbo:smiles "COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SUSRORUBZHMPCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:exactMatch wise:CAS_42576-02-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bfnx" ;
skos:prefLabel "bifenox"@nl ;
vcs:vmmParameterId "1522"^^xsd:int .
csc:LVNYJXIBJFXIRZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36028 ;
dbo:casNumber "31972-44-8" ;
dbo:formula "C13H22NO5PS" ;
dbo:inchi "InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine"@en ;
dbo:pubchem "36028"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C" ;
dbp:inchikey "InChIKey=LVNYJXIBJFXIRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenamfsfn" ;
skos:prefLabel "fenamifos-sulfon"@nl .
csc:BHPQYMZQTOCNFJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:271 ;
dbo:casNumber "17787-72-3" , "14127-61-8" ;
dbo:formula "Ca+2" ;
dbo:inchi "InChI=1S/Ca/q+2" ;
dbo:iupacName "calcium(+2) cation"@en ;
dbo:pubchem "271"^^xsd:int ;
dbo:smiles "[Ca+2]" ;
dbp:inchikey "InChIKey=BHPQYMZQTOCNFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "calcium, tweewaardig"@nl .
csc:CHEMONTID_0004794
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004794 ;
skos:definition "Aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QYEGXUUXWMKHHS-UHFFFAOYSA-N , csc:CGYGETOMCSJHJU-UHFFFAOYSA-N , csc:JTPNRXUCIXHOKM-UHFFFAOYSA-N , csc:RTNLUFLDZOAXIC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004794" ;
skos:prefLabel "Chloronaphthalenes"@en .
csc:IMEVJVISCHQJRM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:92434 ;
dbo:casNumber "126535-15-7" ;
dbo:formula "C17H19F3N6O6S" ;
dbo:inchi "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)" ;
dbo:iupacName "methyl 2-[[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate"@en ;
dbo:pubchem "92434"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C" ;
dbp:inchikey "InChIKey=IMEVJVISCHQJRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TfsfrnC1y" ;
skos:prefLabel "triflusulfuron-methyl"@nl .
csc:CHEMONTID_0003567
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003567 ;
skos:definition "Steroids with a structure based on the ergostane skeleton, which arises from the methylation of cholestane at the 24-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003567" ;
skos:prefLabel "Ergostane steroids"@en .
csc:ONUFESLQCSAYKA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37517 ;
dbo:casNumber "61840-50-4" , "36734-19-7" ;
dbo:formula "C13H13Cl2N3O3" ;
dbo:inchi "InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)" ;
dbo:iupacName "3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide"@en ;
dbo:pubchem "37517"^^xsd:int ;
dbo:smiles "CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ONUFESLQCSAYKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipDon" ;
skos:prefLabel "iprodion"@nl .
csc:MZSJGCPBOVTKHR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14289 ;
dbo:casNumber "1122-82-3" ;
dbo:formula "C7H11NS" ;
dbo:inchi "InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2" ;
dbo:iupacName "ISOTHIOCYANATOCYCLOHEXANE"@en ;
dbo:pubchem "14289"^^xsd:int ;
dbo:smiles "C1CCC(CC1)N=C=S" ;
dbp:inchikey "InChIKey=MZSJGCPBOVTKHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001234 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ccC6yitoCN" ;
skos:prefLabel "cyclohexyl-isothiocyanaat"@nl .
csc:LVDGGZAZAYHXEY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3018355 ;
dbo:casNumber "72629-94-8" ;
dbo:formula "C13HF25O2" ;
dbo:inchi "InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid"@en ;
dbo:pubchem "3018355"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=LVDGGZAZAYHXEY-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-tridecaanzuur (pftrda)"@nl , "perfluortridecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFTDA" ;
skos:prefLabel "perfluortridecaanzuur (pftrda)"@nl .
csc:PXNPSORLYYNBLA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93439 ;
dbo:casNumber "74381-40-1" ;
dbo:formula "C16H30O4" ;
dbo:inchi "InChI=1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3" ;
dbo:iupacName "[2,4,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate"@en ;
dbo:pubchem "93439"^^xsd:int ;
dbo:smiles "CC(C)C(=O)OCC(C)C(C(C)(C)C)OC(=O)C(C)C" ;
dbp:inchikey "InChIKey=PXNPSORLYYNBLA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1yC5a13" ;
skos:prefLabel "2,4,4-trimethylpentaan-1,3-diylbis (2-methylpropanoaat)"@nl .
csc:MGOHCFMYLBAPRN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:210326 ;
dbo:casNumber "243973-20-8" ;
dbo:formula "C23H32N2O4" ;
dbo:inchi "InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3" ;
dbo:iupacName "[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate"@en ;
dbo:pubchem "210326"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C" ;
dbp:inchikey "InChIKey=MGOHCFMYLBAPRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pinadn" ;
skos:prefLabel "pinoxaden"@nl .
csc:NPDACUSDTOMAMK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7810 ;
dbo:casNumber "106-43-4" , "3327-51-3" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-4-methylbenzene"@en ;
dbo:pubchem "7810"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=NPDACUSDTOMAMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_106-43-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClTol" ;
skos:prefLabel "4-chloortolueen"@nl ;
vcs:vmmParameterId "365"^^xsd:int .
csc:CHEMONTID_0002966
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002966 ;
skos:definition "Carboxylic acids containing exactly four carboxyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DMQQXDPCRUGSQB-UHFFFAOYSA-N , csc:QZCLKYGREBVARF-UHFFFAOYSA-N , csc:GFSTXYOTEVLASN-UHFFFAOYSA-N , csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002966" ;
skos:prefLabel "Tetracarboxylic acids and derivatives"@en .
csc:NBIIXXVUZAFLBC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1004 ;
dbo:casNumber "1339-32-8" , "9043-01-0" , "28602-75-7" , "9066-91-5" , "9044-08-0" , "7664-38-2" , "178560-73-1" ;
dbo:formula "H3O4P" ;
dbo:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" ;
dbo:iupacName "['Phosphoric acid', 'tetrahydroxyphosphanium']"@en ;
dbo:pubchem "1004"^^xsd:int ;
dbo:smiles "OP(=O)(O)O" ;
dbp:inchikey "InChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001073 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H3PO4" ;
skos:prefLabel "fosforzuur"@nl .
csc:ZENZJGDPWWLORF-MDZDMXLPSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5283381 ;
dbo:casNumber "5090-41-5" ;
dbo:formula "C18H34O" ;
dbo:inchi "InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+" ;
dbo:iupacName "(E)-octadec-9-enal"@en ;
dbo:pubchem "5283381"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC=O" ;
dbp:inchikey "InChIKey=ZENZJGDPWWLORF-MDZDMXLPSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C18eal" ;
skos:prefLabel "9-octadecenal"@nl .
csc:RRXOSDMYCQSQHB-MRYPCDLHSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282486 ;
dbo:casNumber "57-62-5" , "64-72-2" ;
dbo:formula "C22H24Cl2N2O8" ;
dbo:inchi "InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3;1H/b20-13-;/t7-,8-,15-,21-,22-;/m0./s1" ;
dbo:iupacName "(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en ;
dbo:pubchem "5282486"^^xsd:int ;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O.Cl" ;
dbp:inchikey "InChIKey=RRXOSDMYCQSQHB-MRYPCDLHSA-N" ;
skos:altLabel "chloortetracycline"@nl ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClT4ccne" , "ClT4ccnHCl" ;
skos:prefLabel "chloortetracycline hydrochloride"@nl .
csc:ZKGVLNVASIPVAU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:141652 ;
dbo:casNumber "31656-92-5" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3" ;
dbo:iupacName "1-azido-2-methylbenzene"@en ;
dbo:pubchem "141652"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N=[N+]=[N-]" ;
dbp:inchikey "InChIKey=ZKGVLNVASIPVAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000399 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1azd2C1yben" ;
skos:prefLabel "1-azido-2-methylbenzeen"@nl .
csc:CWOMTHDOJCARBY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8488 ;
dbo:casNumber "121-72-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,3-Trimethylaniline"@en ;
dbo:pubchem "8488"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)N(C)C" ;
dbp:inchikey "InChIKey=CWOMTHDOJCARBY-UHFFFAOYSA-N" ;
skos:altLabel "N,N,3-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN3TC1yAn" ;
skos:prefLabel "n,n,3-trimethylaniline"@nl .
csc:CHEMONTID_0000029
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000029 ;
skos:definition "Organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KJPRLNWUNMBNBZ-QPJJXVBHSA-N , csc:GUUHFMWKWLOQMM-NTCAYCPXSA-N ;
skos:notation "CHEMONTID:0000029" ;
skos:prefLabel "Cinnamaldehydes"@en .
csc:HXJUTPCZVOIRIF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31347 ;
dbo:casNumber "208252-54-4" , "126-33-0" ;
dbo:formula "C4H8O2S" ;
dbo:inchi "InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2" ;
dbo:iupacName "thiolane 1,1-dioxide"@en ;
dbo:pubchem "31347"^^xsd:int ;
dbo:smiles "C1CCS(=O)(=O)C1" ;
dbp:inchikey "InChIKey=HXJUTPCZVOIRIF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Htof11DO" ;
skos:prefLabel "tetrahydrothiofeen-1,1-dioxide"@nl .
csc:CHEMONTID_0003631
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003631 ;
skos:definition "Organic 1,3-dipolar compounds with the general structure X=Y+-Z- <-> X--Y+=Z<-> X+-Y-Z-<-> X-=Y-Z+ (X, Z = C, N, or O; Y = N or O)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003631" ;
skos:prefLabel "Allyl-type 1,3-dipolar organic compounds"@en .
csc:WFKWXMTUELFFGS-OIOBTWANSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161143 ;
dbo:casNumber "15749-46-9" ;
dbo:formula "W" ;
dbo:inchi "InChI=1S/W/i1-3" ;
dbo:iupacName "tungsten-181"@en ;
dbo:pubchem "161143"^^xsd:int ;
dbo:smiles "[W]" ;
dbp:inchikey "InChIKey=WFKWXMTUELFFGS-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "W181" ;
skos:prefLabel "wolfraam 181"@nl .
csc:CHEMONTID_0002404
skos:narrower csc:ZBMRKNMTMPPMMK-UHFFFAOYSA-N , csc:OKOCIUJVPQKDLL-UHFFFAOYSA-N , csc:MGFYIUFZLHCRTH-UHFFFAOYSA-N .
csc:ZXFXBSWRVIQKOD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13930 ;
dbo:casNumber "66240-71-9" , "28044-82-8" , "1024-57-3" , "4067-30-5" , "24717-72-4" , "24699-42-1" ;
dbo:formula "C10H5Cl7O" ;
dbo:inchi "InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H" ;
dbo:iupacName "1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene"@en ;
dbo:pubchem "13930"^^xsd:int ;
dbo:smiles "C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZXFXBSWRVIQKOD-UHFFFAOYSA-N" ;
skos:altLabel "cis-heptachloorepoxyde"@nl , "cis-heptachloorepoxide"@nl ;
skos:broader csc:CHEMONTID_0002012 ;
skos:exactMatch wise:CAS_1024-57-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cHpClepO" ;
skos:prefLabel "beta-heptachloorepoxide"@nl ;
vcs:vmmParameterId "242"^^xsd:int .
csc:CHEMONTID_0004147
skos:narrower csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N , csc:JTZCTMAVMHRNTR-UHFFFAOYSA-N .
csc:CABMTIJINOIHOD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54739 ;
dbo:casNumber "81335-37-7" ;
dbo:formula "C17H17N3O3" ;
dbo:inchi "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)" ;
dbo:iupacName "2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid"@en ;
dbo:pubchem "54739"^^xsd:int ;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C" ;
dbp:inchikey "InChIKey=CABMTIJINOIHOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzqn" ;
skos:prefLabel "imazaquin"@nl .
csc:JGTNAGYHADQMCM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67815 ;
dbo:casNumber "59933-66-3" , "375-73-5" ;
dbo:formula "C4HF9O3S" ;
dbo:inchi "InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid"@en ;
dbo:pubchem "67815"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=JGTNAGYHADQMCM-UHFFFAOYSA-N" ;
skos:altLabel "perfluorbutaansulfonzuur"@nl , "perfluorbutaansulfonzuur (pfbs)"@nl , "perfluor-n-butaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFBS" ;
skos:prefLabel "perfluor-n-butaansulfonzuur (pfbs)"@nl .
csc:CHEMONTID_0001797
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001797 ;
skos:definition "Organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001797" ;
skos:prefLabel "Imidazopyrimidines"@en .
csc:CHEMONTID_0002319
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002319 ;
skos:definition "Aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QBEXFUOWUYCXNI-UHFFFAOYSA-N , csc:PGMZYNZXIYOOHJ-UHFFFAOYSA-N , csc:DQKWXTIYGWPGOO-UHFFFAOYSA-N , csc:ZRDUSMYWDRPZRM-UHFFFAOYSA-N , csc:BHZWBQPHPLFZSV-UHFFFAOYSA-N , csc:PMSYHBINVYHTNN-ONNFQVAWSA-N , csc:RDJTWDKSYLLHRW-UHFFFAOYSA-N , csc:SFYPSBLCFRKKDT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002319" ;
skos:prefLabel "Phenol esters"@en .
csc:ZZORFUFYDOWNEF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5323 ;
dbo:casNumber "122-11-2" ;
dbo:formula "C12H14N4O4S" ;
dbo:inchi "InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" ;
dbo:iupacName "4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide"@en ;
dbo:pubchem "5323"^^xsd:int ;
dbo:smiles "COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC" ;
dbp:inchikey "InChIKey=ZZORFUFYDOWNEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdmtoxne" ;
skos:prefLabel "sulfadimethoxine"@nl .
csc:SBUYFICWQNHBCM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13629 ;
dbo:casNumber "934-80-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3" ;
dbo:iupacName "4-Ethyl-1,2-dimethylbenzene"@en ;
dbo:pubchem "13629"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(C=C1)C)C" ;
dbp:inchikey "InChIKey=SBUYFICWQNHBCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC1y4C2yBe" ;
skos:prefLabel "1,2-dimethyl-4-ethylbenzeen"@nl .
csc:CHEMONTID_0000087
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000087 ;
skos:definition "Compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VQTVFIMEENGCJA-UHFFFAOYSA-N , csc:WTKZEGDFNFYCGP-UHFFFAOYSA-N , csc:RDBIYWSVMRVKSG-UHFFFAOYSA-N , csc:XKVUYEYANWFIJX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000087" ;
skos:prefLabel "Pyrazoles"@en .
csc:YZXBAPSDXZZRGB-CGRWFSSPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5312542 ;
dbo:casNumber "506-32-1" , "7771-44-0" ;
dbo:formula "C20H32O2" ;
dbo:inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+" ;
dbo:iupacName "['Icosa-5,8,11,14-tetraenoic acid', '(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid']"@en ;
dbo:pubchem "5312542"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCC=CCCCC(=O)O" ;
dbp:inchikey "InChIKey=YZXBAPSDXZZRGB-CGRWFSSPSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "arcdnzr" ;
skos:prefLabel "arachidonzuur"@nl .
csc:FOYHNROGBXVLLX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11369 ;
dbo:casNumber "71477-82-2" , "579-66-8" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3" ;
dbo:iupacName "2,6-Diethylaniline"@en ;
dbo:pubchem "11369"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N" ;
dbp:inchikey "InChIKey=FOYHNROGBXVLLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC2yAn" ;
skos:prefLabel "2,6-diethylaniline"@nl .
csc:RDECBWLKMPEKPM-PSCJHHPTSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:183094 ;
dbo:casNumber "131929-63-0" ;
dbo:formula "C42H67NO10" ;
dbo:inchi "InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1" ;
dbo:iupacName "(1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione"@en ;
dbo:pubchem "183094"^^xsd:int ;
dbo:smiles "CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C(=CC3C2CC(=O)O1)C)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C" ;
dbp:inchikey "InChIKey=RDECBWLKMPEKPM-PSCJHHPTSA-N" ;
skos:altLabel "spinosynD"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spinsnD" ;
skos:prefLabel "spinosynd"@nl .
csc:CHEMONTID_0004211
skos:narrower csc:VOWZNBNDMFLQGM-UHFFFAOYSA-N , csc:URLKBWYHVLBVBO-UHFFFAOYSA-N , csc:QXISTPDUYKNPLU-UHFFFAOYSA-N , csc:KZNRNQGTVRTDPN-UHFFFAOYSA-N .
csc:OBYVIBDTOCAXSN-OCAPTIKFSA-O
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1550465 ;
dbo:casNumber "110-96-3" ;
dbo:formula "C8H20N+" ;
dbo:inchi "InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3/p+1/t7-,8+" ;
dbo:iupacName "bis[(2S)-butan-2-yl]azanium"@en ;
dbo:pubchem "1550465"^^xsd:int ;
dbo:smiles "CCC(C)[NH2+]C(C)CC" ;
dbp:inchikey "InChIKey=OBYVIBDTOCAXSN-OCAPTIKFSA-O" ;
skos:altLabel "N,N-bis(2-methylpropyl)amine"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb2C1yC3yAe" ;
skos:prefLabel "n,n-bis(2-methylpropyl)amine"@nl .
csc:YNDXUCZADRHECN-JNQJZLCISA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436 ;
dbo:casNumber "13586-95-3" , "138265-06-2" , "8054-16-8" , "76-25-5" ;
dbo:formula "C24H31FO6" ;
dbo:inchi "InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "6436"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C" ;
dbp:inchikey "InChIKey=YNDXUCZADRHECN-JNQJZLCISA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tacnlnactnde" ;
skos:prefLabel "triamcinolonacetonide"@nl .
csc:JNHLHPMTMTYLCP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74879 ;
dbo:casNumber "2040-10-0" ;
dbo:formula "C14H20O" ;
dbo:inchi "InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3" ;
dbo:iupacName "1-(4-tert-butyl-2,6-dimethylphenyl)ethanone"@en ;
dbo:pubchem "74879"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C" ;
dbp:inchikey "InChIKey=JNHLHPMTMTYLCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4y26DC1y" ;
skos:prefLabel "4'-tertiair-butyl-2',6'-dimethylacetofenon"@nl .
csc:MEFOUWRMVYJCQC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91779 ;
dbo:casNumber "122931-48-0" ;
dbo:formula "C14H17N5O7S2" ;
dbo:inchi "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-ethylsulfonylpyridin-2-yl)sulfonylurea"@en ;
dbo:pubchem "91779"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" ;
dbp:inchikey "InChIKey=MEFOUWRMVYJCQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rimsfrn" ;
skos:prefLabel "rimsulfuron"@nl .
csc:CHEMONTID_0001861
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001861 ;
skos:definition "Heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RTCOGUMHFFWOJV-UHFFFAOYSA-N , csc:MEFOUWRMVYJCQC-UHFFFAOYSA-N , csc:HWATZEJQIXKWQS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001861" ;
skos:prefLabel "Pyridinesulfonamides"@en .
csc:IQIBYAHJXQVQGB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15511 ;
dbo:casNumber "1679-09-0" ;
dbo:formula "C5H12S" ;
dbo:inchi "InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3" ;
dbo:iupacName "2-Methylbutane-2-thiol"@en ;
dbo:pubchem "15511"^^xsd:int ;
dbo:smiles "CCC(C)(C)S" ;
dbp:inchikey "InChIKey=IQIBYAHJXQVQGB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yl2C4atol" ;
skos:prefLabel "2-methyl-2-butaanthiol"@nl .
csc:CHEMONTID_0000151
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000151 ;
skos:definition "Organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JSFUMBWFPQSADC-UHFFFAOYSA-N , csc:RZVHIXYEVGDQDX-UHFFFAOYSA-N , csc:SJEBAWHUJDUKQK-UHFFFAOYSA-N , csc:ZLCUIOWQYBYEBG-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000151" ;
skos:prefLabel "Anthraquinones"@en .
csc:CHEMONTID_0000549
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000549 ;
skos:definition "Inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest atom bonded to it is a halogen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000549" ;
skos:prefLabel "Halogen nitrides"@en .
csc:DZBUGLKDJFMEHC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9215 ;
dbo:casNumber "260-94-6" ;
dbo:formula "C13H9N" ;
dbo:inchi "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" ;
dbo:iupacName "Acridine"@en ;
dbo:pubchem "9215"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC=CC3=N2" ;
dbp:inchikey "InChIKey=DZBUGLKDJFMEHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000274 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acdne" ;
skos:prefLabel "acridine"@nl .
csc:LFQCEHFDDXELDD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12682 ;
dbo:casNumber "340701-13-5" , "681-84-5" , "213778-75-7" , "188853-76-1" , "251638-46-7" , "294858-92-7" , "12547-31-8" , "136959-63-2" , "25498-02-6" , "113837-65-3" , "299177-59-6" , "12002-26-5" , "143478-32-4" ;
dbo:formula "C4H12O4Si" ;
dbo:inchi "InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3" ;
dbo:iupacName "Tetramethoxysilane"@en ;
dbo:pubchem "12682"^^xsd:int ;
dbo:smiles "CO[Si](OC)(OC)OC" ;
dbp:inchikey "InChIKey=LFQCEHFDDXELDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003265 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1ySiO4" ;
skos:prefLabel "tetramethylsilicaat"@nl .
csc:JQCXWCOOWVGKMT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19284 ;
dbo:casNumber "3648-21-3" , "68515-44-6" , "275818-86-5" ;
dbo:formula "C22H34O4" ;
dbo:inchi "InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3" ;
dbo:iupacName "diheptyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "19284"^^xsd:int ;
dbo:smiles "CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC" ;
dbp:inchikey "InChIKey=JQCXWCOOWVGKMT-UHFFFAOYSA-N" ;
skos:altLabel "di-n-heptylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC7yFt" ;
skos:prefLabel "diheptylftalaat"@nl .
csc:PORWMNRCUJJQNO-RNFDNDRNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6336614 ;
dbo:casNumber "14234-28-7" ;
dbo:formula "Te" ;
dbo:inchi "InChI=1S/Te/i1+4" ;
dbo:iupacName "tellurium-132"@en ;
dbo:pubchem "6336614"^^xsd:int ;
dbo:smiles "[Te]" ;
dbp:inchikey "InChIKey=PORWMNRCUJJQNO-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Te132" ;
skos:prefLabel "tellurium 132"@nl .
csc:CHEMONTID_0004752
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004752 ;
skos:definition "Oxime ether derivatives with the general formula CC(R)=NOC(=O)N(R')R\\\", where R-R\\\" = H or organyl."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FZSVSABTBYGOQH-XFFZJAGNSA-N , csc:BXPMAGSOWXBZHS-WEVVVXLNSA-N , csc:NLMRMVVMKCKWFL-YRNVUSSQSA-N , csc:SFNPDDSJBGRXLW-UITAMQMPSA-N , csc:PZOIECHFNQBYRT-YRNVUSSQSA-N , csc:RCTCYOQIGNPQJH-WEVVVXLNSA-N ;
skos:notation "CHEMONTID:0004752" ;
skos:prefLabel "Oxime carbamates"@en .
csc:PSLWZOIUBRXAQW-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77293 ;
dbo:casNumber "3700-67-2" , "134821-46-8" ;
dbo:formula "C38H80BrN" ;
dbo:inchi "InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctadecylazanium bromide"@en ;
dbo:pubchem "77293"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "InChIKey=PSLWZOIUBRXAQW-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDC18yNH4" ;
skos:prefLabel "dimethyldioctadecylammonium bromide"@nl .
csc:MQTOSJVFKKJCRP-OHJWJPDZSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:55185 ;
dbo:casNumber "83905-01-5" ;
dbo:formula "C38H72N2O12" ;
dbo:inchi "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" ;
dbo:iupacName "(2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one"@en ;
dbo:pubchem "55185"^^xsd:int ;
dbo:smiles "CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O" ;
dbp:inchikey "InChIKey=MQTOSJVFKKJCRP-OHJWJPDZSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:exactMatch wise:CAS_83905-01-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aztmcne" ;
skos:prefLabel "azitromycine"@nl ;
vcs:vmmParameterId "1510"^^xsd:int .
csc:GAGWJHPBXLXJQN-UORFTKCHSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60953 ;
dbo:casNumber "154361-50-9" , "158798-73-3" ;
dbo:formula "C15H22FN3O6" ;
dbo:inchi "InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1" ;
dbo:iupacName "pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate"@en ;
dbo:pubchem "60953"^^xsd:int ;
dbo:smiles "CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O" ;
dbp:inchikey "InChIKey=GAGWJHPBXLXJQN-UORFTKCHSA-N" ;
skos:broader csc:CHEMONTID_0004502 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captabne" ;
skos:prefLabel "capectiabine"@nl .
csc:NKANXQFJJICGDU-QPLCGJKRSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2733526 ;
dbo:casNumber "10540-29-1" ;
dbo:formula "C26H29NO" ;
dbo:inchi "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-" ;
dbo:iupacName "2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine"@en ;
dbo:pubchem "2733526"^^xsd:int ;
dbo:smiles "CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N" ;
skos:broader csc:CHEMONTID_0000253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tamxfn" ;
skos:prefLabel "tamoxifen"@nl .
csc:BCSGAWBQJHXXSE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161559 ;
dbo:casNumber "68515-47-9" , "27253-26-5" ;
dbo:formula "C34H58O4" ;
dbo:inchi "InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3" ;
dbo:iupacName "bis(11-methyldodecyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "161559"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=BCSGAWBQJHXXSE-UHFFFAOYSA-N" ;
skos:altLabel "C13-rijk di-C11-14-vertakt alkylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13D1114akFt" , "DiC13yFt" ;
skos:prefLabel "diisotridecylftalaat"@nl .
csc:LABTWGUMFABVFG-ONEGZZNKSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:637920 ;
dbo:casNumber "3102-33-8" ;
dbo:formula "C5H8O" ;
dbo:inchi "InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+" ;
dbo:iupacName "['pent-3-en-2-one', '(E)-pent-3-en-2-one']"@en ;
dbo:pubchem "637920"^^xsd:int ;
dbo:smiles "CC=CC(=O)C" ;
dbp:inchikey "InChIKey=LABTWGUMFABVFG-ONEGZZNKSA-N" ;
skos:altLabel "(E)-3-penteen-2-on"@nl ;
skos:broader csc:CHEMONTID_0001363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "E-3C5e2on" ;
skos:prefLabel "(e)-3-penteen-2-on"@nl .
csc:CHEMONTID_0004667
skos:narrower csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N , csc:YKBZOVFACRVRJN-UHFFFAOYSA-N .
csc:DPBLXKKOBLCELK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8060 ;
dbo:casNumber "110-58-7" ;
dbo:formula "C5H13N" ;
dbo:inchi "InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3" ;
dbo:iupacName "pentan-1-amine"@en ;
dbo:pubchem "8060"^^xsd:int ;
dbo:smiles "CCCCCN" ;
dbp:inchikey "InChIKey=DPBLXKKOBLCELK-UHFFFAOYSA-N" ;
skos:altLabel "n-amylamine"@nl ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NamAe" ;
skos:prefLabel "N-amylamine"@nl .
csc:RZXLPPRPEOUENN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6635 ;
dbo:casNumber "80-33-1" ;
dbo:formula "C12H8Cl2O3S" ;
dbo:inchi "InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H" ;
dbo:iupacName "(4-chlorophenyl) 4-chlorobenzenesulfonate"@en ;
dbo:pubchem "6635"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=RZXLPPRPEOUENN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfsn" ;
skos:prefLabel "chloorfenson"@nl .
csc:QGLZXHRNAYXIBU-WEVVVXLNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9570071 ;
dbo:casNumber "116-06-3" ;
dbo:formula "C7H14N2O2S" ;
dbo:inchi "InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "[(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9570071"^^xsd:int ;
dbo:smiles "CC(C)(C=NOC(=O)NC)SC" ;
dbp:inchikey "InChIKey=QGLZXHRNAYXIBU-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alDcb" ;
skos:prefLabel "aldicarb"@nl .
csc:FSAVDKDHPDSCTO-WQLSENKSSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5377784 ;
dbo:casNumber "470-90-6" , "18708-87-7" , "135373-33-0" ;
dbo:formula "C12H14Cl3O4P" ;
dbo:inchi "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-" ;
dbo:iupacName "['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate']"@en ;
dbo:pubchem "5377784"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=FSAVDKDHPDSCTO-WQLSENKSSA-N" ;
skos:altLabel "chloorfenvinphos"@nl , "chlorfenvinphos"@nl , "alfa-chloorfenvinfos"@nl , "chloorfenvinfos"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_470-90-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfvfs" , "aClfvfs" ;
skos:prefLabel "cis-chloorfenvinfos"@nl ;
vcs:vmmParameterId "675"^^xsd:int .
csc:CHEMONTID_0002441
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002441 ;
skos:definition "Naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KJCVRFUGPWSIIH-UHFFFAOYSA-N , csc:JWAZRIHNYRIHIV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002441" ;
skos:prefLabel "Naphthols and derivatives"@en .
csc:BZHMBWZPUJHVEE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7907 ;
dbo:casNumber "108-08-7" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylpentane"@en ;
dbo:pubchem "7907"^^xsd:int ;
dbo:smiles "CC(C)CC(C)C" ;
dbp:inchikey "InChIKey=BZHMBWZPUJHVEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC5a" ;
skos:prefLabel "2,4-dimethylpentaan"@nl .
csc:WQZGKKKJIJFFOK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:206 ;
dbo:casNumber "10257-28-0" , "26655-34-5" , "579-36-2" , "921-60-8" , "6038-51-3" , "3458-28-4" , "50-99-7" , "59-23-4" , "39392-65-9" , "2280-44-6" ;
dbo:formula "C6H12O6" ;
dbo:inchi "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2" ;
dbo:iupacName "6-(hydroxymethyl)oxane-2,3,4,5-tetrol"@en ;
dbo:pubchem "206"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)O)O)O)O)O" ;
dbp:inchikey "InChIKey=WQZGKKKJIJFFOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glucse" ;
skos:prefLabel "glucose"@nl .
csc:CHEMONTID_0004105
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004105 ;
skos:definition "Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZFSLODLOARCGLH-UHFFFAOYSA-N , csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N , csc:JDSHMPZPIAZGSV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004105" ;
skos:prefLabel "1,3,5-triazines"@en .
csc:CHEMONTID_0000130
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000130 ;
skos:definition "Organic compounds containing a spirodecane moiety with at least one nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JAWPQJDOQPSNIQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000130" ;
skos:prefLabel "Azaspirodecane derivatives"@en .
csc:OYIKARCXOQLFHF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:84098 ;
dbo:casNumber "141112-29-0" ;
dbo:formula "C15H12F3NO4S" ;
dbo:inchi "InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3" ;
dbo:iupacName "(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone"@en ;
dbo:pubchem "84098"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3" ;
dbp:inchikey "InChIKey=OYIKARCXOQLFHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004297 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iOaftl" ;
skos:prefLabel "isoxaflutool"@nl .
csc:CHEMONTID_0001755
skos:narrower csc:VHKXXVVRRDYCIK-CWCPJSEDSA-N .
csc:TWRXJAOTZQYOKJ-UHFFFAOYSA-L
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24584 ;
dbo:casNumber "77069-22-8" , "12285-34-6" , "7786-30-3" ;
dbo:formula "Cl2Mg" ;
dbo:inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" ;
dbo:iupacName "Magnesium dichloride"@en ;
dbo:pubchem "24584"^^xsd:int ;
dbo:smiles "[Mg+2].[Cl-].[Cl-]" ;
dbp:inchikey "InChIKey=TWRXJAOTZQYOKJ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgCl2" ;
skos:prefLabel "magnesiumchloride"@nl .
csc:PWHULOQIROXLJO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'"@nl , "VLAR III (D3, diverse art) 'Mn'"@nl , "VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'"@nl , "VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'"@nl ;
rdfs:seeAlso compound:23930 ;
dbo:casNumber "19768-33-3" , "39303-06-5" , "22325-60-6" , "8075-39-6" , "7439-96-5" , "17375-02-9" , "195161-78-5" , "8031-40-1" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn" ;
dbo:iupacName "Manganese"@en ;
dbo:pubchem "23930"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "InChIKey=PWHULOQIROXLJO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "mangaan, opgelost"@nl , "Mangaan (Mn)"@nl , "mangaan"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)"@nl ;
skos:exactMatch wise:CAS_7439-96-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn" ;
skos:prefLabel "mangaan (mn)"@nl ;
vcs:vmmParameterId "172"^^xsd:int , "1947"^^xsd:int , "174"^^xsd:int , "173"^^xsd:int .
csc:CHEMONTID_0004731
skos:narrower csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N , csc:ISEUFVQQFVOBCY-UHFFFAOYSA-N .
csc:ZRDUSMYWDRPZRM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10234 ;
dbo:casNumber "485-31-4" ;
dbo:formula "C15H18N2O6" ;
dbo:inchi "InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3" ;
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate"@en ;
dbo:pubchem "10234"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C" ;
dbp:inchikey "InChIKey=ZRDUSMYWDRPZRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "binpcl" ;
skos:prefLabel "binapacryl"@nl .
csc:XBEADGFTLHRJRB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23194 ;
dbo:casNumber "6742-54-7" , "67774-74-7" , "129813-58-7" , "29463-63-6" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3" ;
dbo:iupacName "Undecylbenzene"@en ;
dbo:pubchem "23194"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=XBEADGFTLHRJRB-UHFFFAOYSA-N" ;
skos:altLabel "alkyl(c10-c13)benzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alkC10C13Ben" ;
skos:prefLabel "alkyl(C10-C13)benzeen"@nl .
csc:CHEMONTID_0001272
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001272 ;
skos:definition "Aromatic compounds containing a methoxyphenol moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001272" ;
skos:prefLabel "Cresols"@en .
csc:CHEMONTID_0000045
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000045 ;
skos:definition "Compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XYLMUPLGERFSHI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000045" ;
skos:prefLabel "Phenylpropenes"@en .
csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9152 ;
dbo:casNumber "205-82-3" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene"@en ;
dbo:pubchem "9152"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5" ;
dbp:inchikey "InChIKey=KHNYNFUTFKJLDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_205-82-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BjF" ;
skos:prefLabel "benzo(j)fluorantheen"@nl ;
vcs:vmmParameterId "1166"^^xsd:int .
csc:MOTBXEPLFOLWHZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:87676 ;
dbo:casNumber "18487-39-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2" ;
dbo:iupacName "2,3,5-Trichloroaniline"@en ;
dbo:pubchem "87676"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1N)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MOTBXEPLFOLWHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TClAn" ;
skos:prefLabel "2,3,5-trichlooraniline"@nl .
csc:CHEMONTID_0004646
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004646 ;
skos:definition "Phenols that a unsubstituted at the 2-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RZVAJINKPMORJF-UHFFFAOYSA-N , csc:HXDOZKJGKXYMEW-UHFFFAOYSA-N , csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N , csc:NTDQQZYCCIDJRK-UHFFFAOYSA-N , csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N , csc:RLMZELPHRPTNJX-UHFFFAOYSA-N , csc:ZNPSUQQXTRRSBM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004646" ;
skos:prefLabel "1-hydroxy-2-unsubstituted benzenoids"@en .
csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7362 ;
dbo:casNumber "98-01-1" ;
dbo:formula "C5H4O2" ;
dbo:inchi "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H" ;
dbo:iupacName "furan-2-carbaldehyde"@en ;
dbo:pubchem "7362"^^xsd:int ;
dbo:smiles "C1=COC(=C1)C=O" ;
dbp:inchikey "InChIKey=HYBBIBNJHNGZAN-UHFFFAOYSA-N" ;
skos:altLabel "2-furaldehyde"@nl , "2-furaldehyde "@nl ;
skos:broader csc:CHEMONTID_0003213 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furfrl" ;
skos:prefLabel "furfural"@nl .
csc:KWKAKUADMBZCLK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:8125 ;
dbo:casNumber "68527-00-4" , "111-66-0" , "68526-54-5" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3" ;
dbo:iupacName "oct-1-ene"@en ;
dbo:pubchem "8125"^^xsd:int ;
dbo:smiles "CCCCCCC=C" ;
dbp:inchikey "InChIKey=KWKAKUADMBZCLK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_005 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C8e" ;
skos:prefLabel "1-octeen"@nl .
csc:CHEMONTID_0001187
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001187 ;
skos:definition "Organic compounds containing either the monothiacetal functional group (R2C(OR')(SR')) or the dithioacetal (R2C(SR')2) functional group ."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001187" ;
skos:prefLabel "Thioacetals"@en .
csc:WHUUTDBJXJRKMK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:611 ;
dbo:casNumber "56-86-0" , "10549-13-0" , "6893-26-1" , "617-65-2" , "138-16-9" , "6899-05-4" ;
dbo:formula "C5H9NO4" ;
dbo:inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" ;
dbo:iupacName "2-aminopentanedioic acid"@en ;
dbo:pubchem "611"^^xsd:int ;
dbo:smiles "C(CC(=O)O)C(C(=O)O)N" ;
dbp:inchikey "InChIKey=WHUUTDBJXJRKMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glutmnzr" ;
skos:prefLabel "glutaminezuur"@nl .
csc:HFCYZXMHUIHAQI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40087 ;
dbo:casNumber "51707-55-2" ;
dbo:formula "C9H8N4OS" ;
dbo:inchi "InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)" ;
dbo:iupacName "1-phenyl-3-(thiadiazol-5-yl)urea"@en ;
dbo:pubchem "40087"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)NC2=CN=NS2" ;
dbp:inchikey "InChIKey=HFCYZXMHUIHAQI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thidazrn" ;
skos:prefLabel "thidiazuron"@nl .
csc:CHEMONTID_0001108
skos:narrower csc:KZCBXHSWMMIEQU-UHFFFAOYSA-N , csc:KKEYFWRCBNTPAC-UHFFFAOYSA-N .
csc:XKABJYQDMJTNGQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27919 ;
dbo:casNumber "16543-55-8" , "64162-57-8" , "53759-22-1" , "80508-23-2" , "64162-58-9" , "84237-38-7" ;
dbo:formula "C9H11N3O" ;
dbo:inchi "InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2" ;
dbo:iupacName "3-(1-nitrosopyrrolidin-2-yl)pyridine"@en ;
dbo:pubchem "27919"^^xsd:int ;
dbo:smiles "C1CC(N(C1)N=O)C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=XKABJYQDMJTNGQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NOnnctne" ;
skos:prefLabel "nitrosonornicotine"@nl .
csc:DMVOXQPQNTYEKQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7102 ;
dbo:casNumber "92-67-1" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2" ;
dbo:iupacName "4-Phenylaniline"@en ;
dbo:pubchem "7102"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=DMVOXQPQNTYEKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4AoDFy" ;
skos:prefLabel "4-aminodifenyl"@nl .
csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34 ;
dbo:casNumber "1867-09-0" , "59826-67-4" , "107-07-3" ;
dbo:formula "C2H5ClO" ;
dbo:inchi "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2" ;
dbo:iupacName "['2-CHLOROETHANOL', '2-chloroethynol']"@en ;
dbo:pubchem "34"^^xsd:int ;
dbo:smiles "C(CCl)O" ;
dbp:inchikey "InChIKey=SZIFAVKTNFCBPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:exactMatch wise:CAS_107-07-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClC2ol" ;
skos:prefLabel "2-chloorethanol"@nl ;
vcs:vmmParameterId "351"^^xsd:int .
csc:BHIWKHZACMWKOJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11039 ;
dbo:casNumber "547-63-7" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3" ;
dbo:iupacName "Methyl 2-methylpropanoate"@en ;
dbo:pubchem "11039"^^xsd:int ;
dbo:smiles "CC(C)C(=O)OC" ;
dbp:inchikey "InChIKey=BHIWKHZACMWKOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y2C1yppnat" ;
skos:prefLabel "methyl 2-methylpropanoaat"@nl .
csc:QSHDDOUJBYECFT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'"@nl , "VLAR III (D3 art. 3.12.3.1.6) 'kwik'"@nl , "VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'"@nl , "VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'"@nl , "VLAR II (D2) 'kwik'"@nl , "VLAR III (D3, diverse art) 'Hg'"@nl , "VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'"@nl , "VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'"@nl ;
rdfs:seeAlso compound:23931 ;
dbo:casNumber "8030-64-6" , "92355-34-5" , "123720-03-6" , "92786-62-4" , "51887-47-9" , "7439-97-6" , "149038-91-5" ;
dbo:formula "Hg" ;
dbo:inchi "InChI=1S/Hg" ;
dbo:iupacName "Mercury"@en ;
dbo:pubchem "23931"^^xsd:int ;
dbo:smiles "[Hg]" ;
dbp:inchikey "InChIKey=QSHDDOUJBYECFT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "kwik"@nl , "kwik, opgelost"@nl , "kwik (hg)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)"@nl ;
skos:exactMatch wise:CAS_7439-97-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hg" ;
skos:prefLabel "Kwik (Hg)"@nl ;
vcs:vmmParameterId "694"^^xsd:int , "166"^^xsd:int , "168"^^xsd:int , "167"^^xsd:int .
csc:WABPQHHGFIMREM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'"@nl , "VLAR II (D2), diverse artikels 'lood'"@nl , "VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'"@nl , "VLAR III (D3, diverse art) 'Pb'"@nl , "VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'"@nl , "VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'"@nl , "VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'"@nl , "VLAR bijl. 2.5.2. 'lood'"@nl ;
rdfs:seeAlso compound:5352425 ;
dbo:casNumber "7439-92-1" , "724427-66-1" , "15158-12-0" , "14701-27-0" , "54076-28-7" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb" ;
dbo:iupacName "Lead"@en ;
dbo:pubchem "5352425"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "InChIKey=WABPQHHGFIMREM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "lood"@nl , "lood, opgelost"@nl , "lood (pb)"@nl ;
skos:broader csc:CHEMONTID_0000427 ;
skos:definition "lood en loodverbindingen, uitgedrukt als lood (Pb)"@nl ;
skos:exactMatch wise:CAS_7439-92-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb" ;
skos:prefLabel "Lood (Pb)"@nl ;
vcs:vmmParameterId "1956"^^xsd:int , "170"^^xsd:int , "171"^^xsd:int , "169"^^xsd:int .
csc:CHEMONTID_0003000
skos:narrower csc:AGIMOOYNBDLMJV-UHFFFAOYSA-N , csc:DTQVDTLACAAQTR-UHFFFAOYSA-N , csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N , csc:UCZDDMGNCJJAHK-UHFFFAOYSA-N , csc:YNJBWRMUSHSURL-UHFFFAOYSA-N , csc:SIEILFNCEFEENQ-UHFFFAOYSA-N , csc:KDPAWGWELVVRCH-UHFFFAOYSA-N , csc:GEHJBWKLJVFKPS-UHFFFAOYSA-N , csc:XSWVFEQKZFUULO-UHFFFAOYSA-N , csc:CSEBNABAWMZWIF-UHFFFAOYSA-N , csc:NDUPDOJHUQKPAG-UHFFFAOYSA-N , csc:JXTHNDFMNIQAHM-UHFFFAOYSA-N .
csc:PGCGUUGEUBFBPP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16126812 ;
dbo:casNumber "20859-73-8" ;
dbo:formula "AlP" ;
dbo:inchi "InChI=1S/Al.P/q+3;-3" ;
dbo:iupacName "aluminum phosphorus(-3) anion"@en ;
dbo:pubchem "16126812"^^xsd:int ;
dbo:smiles "[Al+3].[P-3]" ;
dbp:inchikey "InChIKey=PGCGUUGEUBFBPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000444 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlP" ;
skos:prefLabel "aluminiumfosfide"@nl .
csc:ZQUPQXINXTWCQR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:63072 ;
dbo:casNumber "74472-42-7" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63072"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZQUPQXINXTWCQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB158" ;
skos:prefLabel "2,3,3',4,4',6-hexachloorbifenyl"@nl .
csc:KYGZCKSPAKDVKC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4628 ;
dbo:casNumber "14698-29-4" ;
dbo:formula "C13H11NO5" ;
dbo:inchi "InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)" ;
dbo:iupacName "5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid"@en ;
dbo:pubchem "4628"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O" ;
dbp:inchikey "InChIKey=KYGZCKSPAKDVKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oolnzr" ;
skos:prefLabel "oxolinezuur"@nl .
csc:XKJMBINCVNINCA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9502 ;
dbo:casNumber "330-55-2" , "56645-87-5" ;
dbo:formula "C9H10Cl2N2O2" ;
dbo:inchi "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "9502"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC" ;
dbp:inchikey "InChIKey=XKJMBINCVNINCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_330-55-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "linrn" ;
skos:prefLabel "linuron"@nl ;
vcs:vmmParameterId "275"^^xsd:int .
csc:SPTHHTGLGVZZRH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47364 ;
dbo:casNumber "64436-13-1" ;
dbo:formula "C5H11AsO2" ;
dbo:inchi "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" ;
dbo:iupacName "2-trimethylarsoniumylacetate"@en ;
dbo:pubchem "47364"^^xsd:int ;
dbo:smiles "C[As+](C)(C)CC(=O)[O-]" ;
dbp:inchikey "InChIKey=SPTHHTGLGVZZRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004238 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "arsenobetaïne"@nl .
csc:AMIMRNSIRUDHCM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6561 ;
dbo:casNumber "78-84-2" , "26140-46-5" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3" ;
dbo:iupacName "2-Methylpropanal"@en ;
dbo:pubchem "6561"^^xsd:int ;
dbo:smiles "CC(C)C=O" ;
dbp:inchikey "InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1C3al" ;
skos:prefLabel "2-methyl-1-propanal"@nl .
csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'ammoniak'"@nl , "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'"@nl , "VLAR III (D3, diverse art) 'NH3'"@nl ;
rdfs:seeAlso compound:222 ;
dbo:casNumber "208990-07-2" , "8007-57-6" , "13774-92-0" , "15194-15-7" , "7664-41-7" , "214478-05-4" , "17778-88-0" ;
dbo:formula "H3N" ;
dbo:inchi "InChI=1S/H3N/h1H3" ;
dbo:iupacName "['$l^{1}-azane', 'azane']"@en ;
dbo:pubchem "222"^^xsd:int ;
dbo:smiles "N" ;
dbp:inchikey "InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_003 ;
skos:altLabel "ammoniak"@nl , "ammoniak (nh3)"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:exactMatch wise:CAS_7664-41-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH3" ;
skos:prefLabel "ammoniak (NH3)"@nl ;
vcs:vmmParameterId "19"^^xsd:int .
csc:CHEMONTID_0002314
skos:narrower csc:YTNKWDJILNVLGX-UHFFFAOYSA-N , csc:IJJVMEJXYNJXOJ-UHFFFAOYSA-N .
csc:JRUGFHHEKLYFPC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:154380 ;
dbo:casNumber "57964-40-6" ;
dbo:formula "C14H14N2" ;
dbo:inchi "InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2" ;
dbo:iupacName "4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile"@en ;
dbo:pubchem "154380"^^xsd:int ;
dbo:smiles "C1CC(C2=CC=CC=C2C1CCC#N)C#N" ;
dbp:inchikey "InChIKey=JRUGFHHEKLYFPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CN1234T4HNa" ;
skos:prefLabel "4-cyaan-1,2,3,4-tetrahydro-1-naftaleenacetonitril"@nl .
csc:WHOKDONDRZNCBC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7173 ;
dbo:casNumber "94-11-1" ;
dbo:formula "C11H12Cl2O3" ;
dbo:inchi "InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3" ;
dbo:iupacName "propan-2-yl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "7173"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=WHOKDONDRZNCBC-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D isopropyl ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DiC3yEsr" ;
skos:prefLabel "2,4-d isopropyl ester"@nl .
csc:SBYAVOHNDJTVPA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:35699 ;
dbo:casNumber "30979-48-7" ;
dbo:formula "C8H15N3O2" ;
dbo:inchi "InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)" ;
dbo:iupacName "N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide"@en ;
dbo:pubchem "35699"^^xsd:int ;
dbo:smiles "CC(C)CNC(=O)N1CCNC1=O" ;
dbp:inchikey "InChIKey=SBYAVOHNDJTVPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000079 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icbmd" ;
skos:prefLabel "iso-carbamid"@nl .
csc:VOWAEIGWURALJQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6777 ;
dbo:casNumber "55819-02-8" , "169741-16-6" , "84-61-7" ;
dbo:formula "C20H26O4" ;
dbo:inchi "InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2" ;
dbo:iupacName "dicyclohexyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6777"^^xsd:int ;
dbo:smiles "C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3" ;
dbp:inchikey "InChIKey=VOWAEIGWURALJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DccC6yFt" ;
skos:prefLabel "dicyclohexylftalaat"@nl .
csc:HMIBKHHNXANVHR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:44178 ;
dbo:casNumber "62850-32-2" ;
dbo:formula "C13H19NO2S" ;
dbo:inchi "InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3" ;
dbo:iupacName "S-[4-(phenoxy)butyl] dimethylaminomethanethioate"@en ;
dbo:pubchem "44178"^^xsd:int ;
dbo:smiles "CN(C)C(=O)SCCCCOC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=HMIBKHHNXANVHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gentocb" ;
skos:prefLabel "fenothiocarb"@nl .
csc:GUCVJGMIXFAOAE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23936 ;
dbo:casNumber "7440-03-1" , "26842-13-7" ;
dbo:formula "Nb" ;
dbo:inchi "InChI=1S/Nb" ;
dbo:iupacName "NIOBIUM"@en ;
dbo:pubchem "23936"^^xsd:int ;
dbo:smiles "[Nb]" ;
dbp:inchikey "InChIKey=GUCVJGMIXFAOAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nb" ;
skos:prefLabel "niobium"@nl .
csc:XRWMGCFJVKDVMD-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18669 ;
dbo:casNumber "3282-73-3" , "13146-86-6" ;
dbo:formula "C26H56BrN" ;
dbo:inchi "InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "didodecyl-dimethylazanium bromide"@en ;
dbo:pubchem "18669"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "InChIKey=XRWMGCFJVKDVMD-UHFFFAOYSA-M" ;
skos:altLabel "didodecyldimethylammonium"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC12yDC1yNH4" ;
skos:prefLabel "didodecyldimethylammonium bromide"@nl .
csc:CHEMONTID_0002229
skos:narrower csc:NUJGJRNETVAIRJ-UHFFFAOYSA-N , csc:JZQKTMZYLHNFPL-BLHCBFLLSA-N , csc:JARKCYVAAOWBJS-UHFFFAOYSA-N , csc:GYHFUZHODSMOHU-UHFFFAOYSA-N , csc:GADNZGQWPNTMCH-NTMALXAHSA-N , csc:FXHGMKSSBGDXIY-UHFFFAOYSA-N .
csc:RLSSMJSEOOYNOY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:342 ;
dbo:casNumber "15831-10-4" , "108-39-4" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3" ;
dbo:iupacName "3-methylphenol"@en ;
dbo:pubchem "342"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)O" ;
dbp:inchikey "InChIKey=RLSSMJSEOOYNOY-UHFFFAOYSA-N" ;
skos:altLabel "m-cresol"@nl , "3-methylfenol (m-cresol)"@nl ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mcresl" ;
skos:prefLabel "3-methylfenol"@nl .
csc:YMWUJEATGCHHMB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II Art. 5.23.1.1."@nl , "VLAR II Art. 5.4.3.1.4 'methyleenchloride'"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6344 ;
dbo:casNumber "75-09-2" , "1605-72-7" ;
dbo:formula "CH2Cl2" ;
dbo:inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2" ;
dbo:iupacName "Dichloromethane"@en ;
dbo:pubchem "6344"^^xsd:int ;
dbo:smiles "C(Cl)Cl" ;
dbp:inchikey "InChIKey=YMWUJEATGCHHMB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000co:WAC_IV_B_040 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_75-09-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClC1a" ;
skos:prefLabel "dichloormethaan"@nl ;
vcs:vmmParameterId "379"^^xsd:int .
csc:YBRBMKDOPFTVDT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6385 ;
dbo:casNumber "94896-77-2" , "75-64-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3" ;
dbo:iupacName "2-methylpropan-2-amine"@en ;
dbo:pubchem "6385"^^xsd:int ;
dbo:smiles "CC(C)(C)N" ;
dbp:inchikey "InChIKey=YBRBMKDOPFTVDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yAe" ;
skos:prefLabel "tert-butylamine"@nl .
csc:SUBDBMMJDZJVOS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4594 ;
dbo:casNumber "131959-78-9" , "73590-58-6" , "172964-80-6" ;
dbo:formula "C17H19N3O3S" ;
dbo:inchi "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)" ;
dbo:iupacName "6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole"@en ;
dbo:pubchem "4594"^^xsd:int ;
dbo:smiles "CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC" ;
dbp:inchikey "InChIKey=SUBDBMMJDZJVOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001891 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ompzl" ;
skos:prefLabel "omeprazol"@nl .
csc:NDAUXUAQIAJITI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2083 ;
dbo:casNumber "18559-94-9" , "35763-26-9" ;
dbo:formula "C13H21NO3" ;
dbo:inchi "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3" ;
dbo:iupacName "4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol"@en ;
dbo:pubchem "2083"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O" ;
dbp:inchikey "InChIKey=NDAUXUAQIAJITI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000033 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "salbtml" ;
skos:prefLabel "salbutamol"@nl .
csc:QCAWEPFNJXQPAN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105010 ;
dbo:casNumber "163442-56-6" , "161050-58-4" ;
dbo:formula "C22H28N2O3" ;
dbo:inchi "InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)" ;
dbo:iupacName "N-tert-butyl-N'-(3-methoxy-2-methylbenzoyl)-3,5-dimethylbenzohydrazide"@en ;
dbo:pubchem "105010"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C" ;
dbp:inchikey "InChIKey=QCAWEPFNJXQPAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxfnzde" ;
skos:prefLabel "methoxyfenozide"@nl .
csc:PLAZTCDQAHEYBI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6944 ;
dbo:casNumber "57158-05-1" , "88-72-2" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "1-Methyl-2-nitrobenzene"@en ;
dbo:pubchem "6944"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=PLAZTCDQAHEYBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2Tol" ;
skos:prefLabel "2-nitrotolueen"@nl .
csc:ICOAEPDGFWLUTI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36647 ;
dbo:casNumber "33979-03-2" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H" ;
dbo:iupacName "1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "36647"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ICOAEPDGFWLUTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB155" ;
skos:prefLabel "2,2',4,4',6,6'-hexachloorbifenyl"@nl .
csc:DTMRKGRREZAYAP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:37251 ;
dbo:casNumber "35694-08-7" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "37251"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=DTMRKGRREZAYAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB194" ;
skos:prefLabel "2,2',3,3',4,4',5,5'-octachloorbifenyl"@nl .
csc:ISEUFVQQFVOBCY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4928 ;
dbo:casNumber "1610-18-0" , "11126-75-3" ;
dbo:formula "C10H19N5O" ;
dbo:inchi "InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4928"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)OC)NC(C)C" ;
dbp:inchikey "InChIKey=ISEUFVQQFVOBCY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004731 ;
skos:exactMatch wise:CAS_1610-18-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtn" ;
skos:prefLabel "prometon"@nl ;
vcs:vmmParameterId "1077"^^xsd:int .
csc:CHEMONTID_0000459
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000459 ;
skos:definition "Inorganic compounds belonging to either the lanthanide hydrides, lanthanide nitrides, lanthanide oxides, lanthanide sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000459" ;
skos:prefLabel "Lanthanide organides"@en .
csc:IEDVJHCEMCRBQM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5578 ;
dbo:casNumber "738-70-5" ;
dbo:formula "C14H18N4O3" ;
dbo:inchi "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)" ;
dbo:iupacName "5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine"@en ;
dbo:pubchem "5578"^^xsd:int ;
dbo:smiles "COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N" ;
dbp:inchikey "InChIKey=IEDVJHCEMCRBQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:exactMatch wise:CAS_738-70-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tmtpm" ;
skos:prefLabel "trimethoprim"@nl ;
vcs:vmmParameterId "1409"^^xsd:int .
csc:GWXLDORMOJMVQZ-RNFDNDRNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26874 ;
dbo:casNumber "14762-78-8" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce/i1+4" ;
dbo:iupacName "cerium-144"@en ;
dbo:pubchem "26874"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "InChIKey=GWXLDORMOJMVQZ-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce144" ;
skos:prefLabel "cerium 144"@nl .
csc:UOORRWUZONOOLO-UPHRSURJSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5280970 ;
dbo:casNumber "542-75-6" , "10061-01-5" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-" ;
dbo:iupacName "(Z)-1,3-dichloroprop-1-ene"@en ;
dbo:pubchem "5280970"^^xsd:int ;
dbo:smiles "C(C=CCl)Cl" ;
dbp:inchikey "InChIKey=UOORRWUZONOOLO-UPHRSURJSA-N" ;
skos:altLabel "1,3-dichloorpropeen"@nl , "1,3-dichloorpropeen (cis+trans)"@nl , "1,3-dichloorpropeen, cis"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_542-75-6 , wise:CAS_10061-01-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c13DClC3e" , "13DClC3e" ;
skos:prefLabel "cis-1,3-dichloorpropeen"@nl ;
vcs:vmmParameterId "895"^^xsd:int , "326"^^xsd:int .
csc:CHEMONTID_0001607
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001607 ;
skos:definition "Phenolic compounds containing a cis-fused tetrahydrochromeno[3,4-b]chromene nucleus. Many rotenoids contain an additional ring, e.g. rotenone. They are isoflavonoids characterized by the presence of an extra carbon atom in an additional heterocyclic ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001607" ;
skos:prefLabel "Rotenoids"@en .
csc:CHEMONTID_0004577
skos:narrower csc:BSYNRYMUTXBXSQ-UHFFFAOYSA-N .
csc:BMXXSXQVMCXGJM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17139 ;
dbo:casNumber "2448-68-2" , "1893-33-0" ;
dbo:formula "C21H32Cl2FN3O2" ;
dbo:inchi "InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H" ;
dbo:iupacName "1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride"@en ;
dbo:pubchem "17139"^^xsd:int ;
dbo:smiles "C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-]" ;
dbp:inchikey "InChIKey=BMXXSXQVMCXGJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pipprn" ;
skos:prefLabel "pipamperon"@nl .
csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:888 ;
dbo:casNumber "22537-22-0" , "7439-95-4" ;
dbo:formula "Mg+2" ;
dbo:inchi "InChI=1S/Mg/q+2" ;
dbo:iupacName "magnesium(+2) cation"@en ;
dbo:pubchem "888"^^xsd:int ;
dbo:smiles "[Mg+2]" ;
dbp:inchikey "InChIKey=JLVVSXFLKOJNIY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_A_009 ;
skos:altLabel "magnesium, tweewaardig"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7439-95-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mg" ;
skos:prefLabel "magnesium"@nl ;
vcs:vmmParameterId "986"^^xsd:int , "742"^^xsd:int , "1259"^^xsd:int .
csc:PNLQPWWBHXMFCA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11203 ;
dbo:casNumber "557-98-2" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3" ;
dbo:iupacName "2-chloroprop-1-ene"@en ;
dbo:pubchem "11203"^^xsd:int ;
dbo:smiles "CC(=C)Cl" ;
dbp:inchikey "InChIKey=PNLQPWWBHXMFCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClC3e" ;
skos:prefLabel "2-chloorpropeen"@nl .
csc:XXBDWLFCJWSEKW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7681 ;
dbo:casNumber "103-83-3" , "59125-51-8" , "28262-13-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" ;
dbo:iupacName "N,N-dimethyl-1-phenylmethanamine"@en ;
dbo:pubchem "7681"^^xsd:int ;
dbo:smiles "CN(C)CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=XXBDWLFCJWSEKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ybenzAe" ;
skos:prefLabel "dimethylbenzylamine"@nl .
csc:WWYNJERNGUHSAO-XUDSTZEESA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13109 ;
dbo:casNumber "6533-00-2" , "797-62-6" , "4222-79-1" , "121714-72-5" , "797-63-7" ;
dbo:formula "C21H28O2" ;
dbo:inchi "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "13109"^^xsd:int ;
dbo:smiles "CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "InChIKey=WWYNJERNGUHSAO-XUDSTZEESA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levngsl" ;
skos:prefLabel "levonorgestrel"@nl .
csc:UIOFUWFRIANQPC-JKIFEVAISA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21319 ;
dbo:casNumber "5250-39-5" ;
dbo:formula "C19H17ClFN3O5S" ;
dbo:inchi "InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "21319"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=UIOFUWFRIANQPC-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucaclne" ;
skos:prefLabel "flucloxacilline"@nl .
csc:INMHJULHWVWVFN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:81165 ;
dbo:casNumber "6654-64-4" ;
dbo:formula "C10H8O9S3" ;
dbo:inchi "InChI=1S/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)" ;
dbo:iupacName "naphthalene-1,3,5-trisulfonic acid"@en ;
dbo:pubchem "81165"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=INMHJULHWVWVFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf135Tsfzr" ;
skos:prefLabel "naftaleen-1,3,5-trisulfonzuur"@nl .
csc:IGJQUJNPMOYEJY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14079 ;
dbo:casNumber "1072-83-9" ;
dbo:formula "C6H7NO" ;
dbo:inchi "InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3" ;
dbo:iupacName "1-(1H-Pyrrol-2-yl)ethanone"@en ;
dbo:pubchem "14079"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CN1" ;
dbp:inchikey "InChIKey=IGJQUJNPMOYEJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2actprl" ;
skos:prefLabel "2-acetylpyrrol"@nl .
csc:CHEMONTID_0002749
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002749 ;
skos:definition "Alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RRKTZKIUPZVBMF-PLNGPGDESA-N , csc:QMGVPVSNSZLJIA-FVWCLLPLSA-N ;
skos:notation "CHEMONTID:0002749" ;
skos:prefLabel "Strychnos alkaloids"@en .
csc:NDXGRHCEHPFUSU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74912 ;
dbo:casNumber "2050-89-7" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,13-14H2" ;
dbo:iupacName "3-(3-aminophenyl)aniline"@en ;
dbo:pubchem "74912"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)N)C2=CC(=CC=C2)N" ;
dbp:inchikey "InChIKey=NDXGRHCEHPFUSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mbenzdne" ;
skos:prefLabel "m-benzidine"@nl .
csc:VBKKVDGJXVOLNE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6531 ;
dbo:casNumber "78-34-2" ;
dbo:formula "C12H26O6P2S4" ;
dbo:inchi "InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3" ;
dbo:iupacName "(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "6531"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC" ;
dbp:inchikey "InChIKey=VBKKVDGJXVOLNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001313 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DOxton" ;
skos:prefLabel "dioxathion"@nl .
csc:OCDAWJYGVOLXGZ-VPVMAENOSA-K
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:197281 ;
dbo:casNumber "113662-23-0" , "127000-20-8" , "12700-20-8" ;
dbo:formula "C36H62GdN5O21" ;
dbo:inchi "InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1" ;
dbo:iupacName "2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylmethoxypropanoate; gadolinium(+3) cation; hydron; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol"@en ;
dbo:pubchem "197281"^^xsd:int ;
dbo:smiles "[H+].[H+].CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "InChIKey=OCDAWJYGVOLXGZ-VPVMAENOSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadbzr" ;
skos:prefLabel "gadobeenzuur"@nl .
csc:YGDPIDTZOQGPAX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91648 ;
dbo:casNumber "52663-79-3" ;
dbo:formula "C12HCl9" ;
dbo:inchi "InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "91648"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YGDPIDTZOQGPAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB207" ;
skos:prefLabel "2,2',3,3',4,4',5,6,6'-nonachloorbifenyl"@nl .
csc:UIWYJDYFSGRHKR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23982 ;
dbo:casNumber "7440-54-2" , "87677-94-9" , "110123-54-1" ;
dbo:formula "Gd" ;
dbo:inchi "InChI=1S/Gd" ;
dbo:iupacName "GADOLINIUM"@en ;
dbo:pubchem "23982"^^xsd:int ;
dbo:smiles "[Gd]" ;
dbp:inchikey "InChIKey=UIWYJDYFSGRHKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Gd" ;
skos:prefLabel "gadolinium"@nl .
csc:XLOMVQKBTHCTTD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14806 ;
dbo:casNumber "8047-69-6" , "8011-84-5" , "1314-13-2" , "8050-42-8" , "56592-00-8" , "8047-36-7" , "78590-82-6" , "185461-95-4" , "57206-86-7" , "8051-03-4" ;
dbo:formula "OZn" ;
dbo:inchi "InChI=1S/O.Zn" ;
dbo:iupacName "oxozinc"@en ;
dbo:pubchem "14806"^^xsd:int ;
dbo:smiles "O=[Zn]" ;
dbp:inchikey "InChIKey=XLOMVQKBTHCTTD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ZnO" ;
skos:prefLabel "zinkoxide"@nl .
csc:YAYNEUUHHLGGAH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8192 ;
dbo:casNumber "112-52-7" ;
dbo:formula "C12H25Cl" ;
dbo:inchi "InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3" ;
dbo:iupacName "1-Chlorododecane"@en ;
dbo:pubchem "8192"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCl" ;
dbp:inchikey "InChIKey=YAYNEUUHHLGGAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC12a" ;
skos:prefLabel "1-chloordodecaan"@nl .
csc:WZZRJCUYSKKFHO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:90756 ;
dbo:casNumber "22212-56-2" ;
dbo:formula "C16H13Cl2NO3" ;
dbo:inchi "InChI=1S/C16H13Cl2NO3/c1-10(16(21)22)19(12-7-8-13(17)14(18)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)" ;
dbo:iupacName "2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid"@en ;
dbo:pubchem "90756"^^xsd:int ;
dbo:smiles "CC(C(=O)O)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=WZZRJCUYSKKFHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzypp" ;
skos:prefLabel "benzoylprop"@nl .
list:subclass a rdf:List ;
rdf:first cscl:subclass ;
rdf:rest () ;
skos:prefLabel "Niveau subklasse"@nl .
csc:VITSNECNFNNVQB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11759 ;
dbo:casNumber "601-88-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H" ;
dbo:iupacName "1,3-Dichloro-2-nitrobenzene"@en ;
dbo:pubchem "11759"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=VITSNECNFNNVQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,6-dichloornitrobenzeen"@nl .
csc:BJQHLKABXJIVAM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8343 ;
dbo:casNumber "117-81-7" , "82208-43-3" , "275818-89-8" , "15495-94-0" , "126639-29-0" , "50885-87-5" , "137718-37-7" , "40120-69-2" , "205180-59-2" , "8033-53-2" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8343"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC" ;
dbp:inchikey "InChIKey=BJQHLKABXJIVAM-UHFFFAOYSA-N" ;
skos:altLabel "bis-(2-ethylhexyl)-ftalaat"@nl , "bis(2-ethylhexyl)ftalaat (DEHP)"@nl , "di(2-ethylhexyl)-ftalaat (dehp)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_117-81-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEHP" ;
skos:prefLabel "bis(2-ethylhexyl)ftalaat (dehp)"@nl ;
vcs:vmmParameterId "59"^^xsd:int .
csc:UAIXRPCCYXNJMQ-CHLZSUIASA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11969480 ;
dbo:casNumber "55327-62-3" , "53187-13-6" , "53152-21-9" , "64425-21-4" , "52485-79-7" ;
dbo:formula "C29H42ClNO4" ;
dbo:inchi "InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29?;/m1./s1" ;
dbo:iupacName "(1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride"@en ;
dbo:pubchem "11969480"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl" ;
dbp:inchikey "InChIKey=UAIXRPCCYXNJMQ-CHLZSUIASA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bupofne" ;
skos:prefLabel "buprenorfine"@nl .
csc:WDNBURPWRNALGP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7258 ;
dbo:casNumber "95-77-2" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H" ;
dbo:iupacName "3,4-Dichlorophenol"@en ;
dbo:pubchem "7258"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1O)Cl)Cl" ;
dbp:inchikey "InChIKey=WDNBURPWRNALGP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClFol" ;
skos:prefLabel "3,4-dichloorfenol"@nl .
csc:ZZYSLNWGKKDOML-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86354 ;
dbo:casNumber "119168-77-3" ;
dbo:formula "C18H24ClN3O" ;
dbo:inchi "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)" ;
dbo:iupacName "N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide"@en ;
dbo:pubchem "86354"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C" ;
dbp:inchikey "InChIKey=ZZYSLNWGKKDOML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebfprd" ;
skos:prefLabel "tebufenpyrad"@nl .
csc:UMGDCJDMYOKAJW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6118 ;
dbo:casNumber "62-56-6" ;
dbo:formula "CH4N2S" ;
dbo:inchi "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)" ;
dbo:iupacName "Thiourea"@en ;
dbo:pubchem "6118"^^xsd:int ;
dbo:smiles "C(=N)(N)S" ;
dbp:inchikey "InChIKey=UMGDCJDMYOKAJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tourm" ;
skos:prefLabel "thioureum"@nl .
csc:CHEMONTID_0001097
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001097 ;
skos:definition "Organic compounds containing a carbonyl group substituted with a benzyloxyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YATDSXRLIUJOQN-UHFFFAOYSA-N , csc:FSGNOVKGEXRRHD-UHFFFAOYSA-N , csc:ZFHGXWPMULPQSE-WTKPLQERSA-N , csc:DDVNRFNDOPPVQJ-HQJQHLMTSA-N , csc:GRKDVZMVHOLESV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001097" ;
skos:prefLabel "Benzyloxycarbonyls"@en .
csc:CHEMONTID_0003955
skos:narrower csc:XKXPBJBODVHDAW-UHFFFAOYSA-N , csc:LPDSNGAFAJYVKH-UHFFFAOYSA-N , csc:HFACYLZERDEVSX-UHFFFAOYSA-N .
csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:36187 ;
dbo:casNumber "32598-13-3" , "80333-65-9" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "36187"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UQMGJOKDKOLIDP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "3,3',4,4'-tetrachloorbifenyl (pcb77)"@nl , "3,3',4,4'-tetrachloorbifenyl"@nl , "pcb 77"@nl , "PCB77"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_32598-13-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB77" ;
skos:prefLabel "pcb77"@nl ;
vcs:vmmParameterId "1375"^^xsd:int .
csc:MWOOGOJBHIARFG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1183 ;
dbo:casNumber "8014-42-4" , "52447-63-9" , "121-33-5" ;
dbo:formula "C8H8O3" ;
dbo:inchi "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3" ;
dbo:iupacName "4-Hydroxy-3-methoxybenzaldehyde"@en ;
dbo:pubchem "1183"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C=O)O" ;
dbp:inchikey "InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vanlne" ;
skos:prefLabel "vanilline"@nl .
csc:IQDGSYLLQPDQDV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10473 ;
dbo:casNumber "506-59-2" ;
dbo:formula "C2H8ClN" ;
dbo:inchi "InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H" ;
dbo:iupacName "['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride']"@en ;
dbo:pubchem "10473"^^xsd:int ;
dbo:smiles "CNC.Cl" ;
dbp:inchikey "InChIKey=IQDGSYLLQPDQDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAeHCl" ;
skos:prefLabel "dimethylamine-hydrochloride"@nl .
list:kingdom a rdf:List ;
rdf:first cscl:kingdom ;
rdf:rest list:superclass ;
skos:prefLabel "Niveau rijk"@nl .
csc:CHEMONTID_0001644
skos:narrower csc:UXDDRFCJKNROTO-UHFFFAOYSA-N .
csc:CHEMONTID_0004620
skos:narrower csc:OIHDCDZZRDGEIB-UHFFFAOYSA-N , csc:KVQVGSDBGJXNGV-UHFFFAOYSA-N , csc:JVSWJIKNEAIKJW-UHFFFAOYSA-N , csc:VLHAGZNBWKUMRW-UHFFFAOYSA-N , csc:QUYFPNWYGLFQQU-UHFFFAOYSA-N , csc:AEXMKKGTQYQZCS-UHFFFAOYSA-N , csc:QUKOJKFJIHSBKV-UHFFFAOYSA-N , csc:KBPCCVWUMVGXGF-UHFFFAOYSA-N , csc:NHTMVDHEPJAVLT-UHFFFAOYSA-N , csc:BZHMBWZPUJHVEE-UHFFFAOYSA-N , csc:AFABGHUZZDYHJO-UHFFFAOYSA-N , csc:XJKKSYAVEVAGFX-UHFFFAOYSA-N , csc:FLTJDUOFAQWHDF-UHFFFAOYSA-N , csc:UWNADWZGEHDQAB-UHFFFAOYSA-N , csc:PFEOZHBOMNWTJB-UHFFFAOYSA-N , csc:HCYGJXYCUXDCHD-UHFFFAOYSA-N , csc:GXDHCNNESPLIKD-UHFFFAOYSA-N , csc:QWTDNUCVQCZILF-UHFFFAOYSA-N , csc:DZJTZGHZAWTWGA-UHFFFAOYSA-N , csc:DOGIHOCMZJUJNR-UHFFFAOYSA-N , csc:ZFFMLCVRJBZUDZ-UHFFFAOYSA-N , csc:CDTWRIBBCOMBSI-UHFFFAOYSA-N , csc:HNRMPXKDFBEGFZ-UHFFFAOYSA-N , csc:VLJXXKKOSFGPHI-UHFFFAOYSA-N , csc:SGVYKUFIHHTIFL-UHFFFAOYSA-N , csc:IHPXJGBVRWFEJB-UHFFFAOYSA-N , csc:RJWUMFHQJJBBOD-UHFFFAOYSA-N , csc:IALRSQMWHFKJJA-UHFFFAOYSA-N , csc:YGPVLXJHRFZYJJ-UHFFFAOYSA-N , csc:KEVMYFLMMDUPJE-UHFFFAOYSA-N , csc:BVMGLUHWZZEDRX-UHFFFAOYSA-N , csc:JEEQUUSFXYRPRK-UHFFFAOYSA-N , csc:LAIUFBWHERIJIH-UHFFFAOYSA-N , csc:XMROPFQWHHUFFS-UHFFFAOYSA-N , csc:HDGQICNBXPAKLR-UHFFFAOYSA-N .
csc:GOJCZVPJCKEBQV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6819 ;
dbo:casNumber "85-70-1" ;
dbo:formula "C18H24O6" ;
dbo:inchi "InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3" ;
dbo:iupacName "O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6819"^^xsd:int ;
dbo:smiles "CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "InChIKey=GOJCZVPJCKEBQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yFtyC4ygcl" ;
skos:prefLabel "butyl ftalyl butyl glycolaat"@nl .
csc:JTZCTMAVMHRNTR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41463 ;
dbo:casNumber "55512-33-9" ;
dbo:formula "C19H23ClN2O2S" ;
dbo:inchi "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3" ;
dbo:iupacName "(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate"@en ;
dbo:pubchem "41463"^^xsd:int ;
dbo:smiles "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl" ;
dbp:inchikey "InChIKey=JTZCTMAVMHRNTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdt" ;
skos:prefLabel "pyridaat"@nl .
csc:CHEMONTID_0000417
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000417 ;
skos:definition "Compounds containing an anisole where the methane group is linked to an acetic acid or a derivative."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZMWGIGHRZQTQRE-UHFFFAOYSA-N , csc:QZSFJRIWRPJUOH-UHFFFAOYSA-N , csc:NEVMZYLKPFGDJB-OWOJBTEDSA-N , csc:FWXSAXJNSVIOLZ-UHFFFAOYSA-N , csc:IIBYAHWJQTYFKB-UHFFFAOYSA-N , csc:KNHUKKLJHYUCFP-UHFFFAOYSA-N , csc:SMQMWHHMXSBKEP-UHFFFAOYSA-N , csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N , csc:COYBRKAVBMYYSF-UHFFFAOYSA-N , csc:WHOKDONDRZNCBC-UHFFFAOYSA-N , csc:TXCGAZHTZHNUAI-UHFFFAOYSA-N , csc:RZCJYMOBWVJQGV-UHFFFAOYSA-N , csc:KZWPFFFDRDASOU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000417" ;
skos:prefLabel "Phenoxyacetic acid derivatives"@en .
csc:HHRACYLRBOUBKM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18360 ;
dbo:casNumber "71281-67-9" , "99938-81-5" , "3101-60-8" , "128994-01-4" , "124632-41-3" , "29298-03-1" ;
dbo:formula "C13H18O2" ;
dbo:inchi "InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3" ;
dbo:iupacName "2-[(4-tert-butylphenoxy)methyl]oxirane"@en ;
dbo:pubchem "18360"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)OCC2CO2" ;
dbp:inchikey "InChIKey=HHRACYLRBOUBKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yFygcdE" ;
skos:prefLabel "4-tert-butylfenylglycidylether"@nl .
csc:BHNZEZWIUMJCGF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6388 ;
dbo:casNumber "65762-25-6" , "75-68-3" ;
dbo:formula "C2H3ClF2" ;
dbo:inchi "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1-Chloro-1,1-difluoroethane"@en ;
dbo:pubchem "6388"^^xsd:int ;
dbo:smiles "CC(F)(F)Cl" ;
dbp:inchikey "InChIKey=BHNZEZWIUMJCGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK142b" ;
skos:prefLabel "1-chloor-1,1-difluorethaan"@nl .
csc:OBYVIBDTOCAXSN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12277 ;
dbo:casNumber "626-23-3" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3" ;
dbo:iupacName "N-butan-2-ylbutan-2-amine"@en ;
dbo:pubchem "12277"^^xsd:int ;
dbo:smiles "CCC(C)NC(C)CC" ;
dbp:inchikey "InChIKey=OBYVIBDTOCAXSN-UHFFFAOYSA-N" ;
skos:altLabel "N-(1-methylpropyl)-2-butaanamine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N1C1yC3y2C4a" ;
skos:prefLabel "n-(1-methylpropyl)-2-butaanamine"@nl .
csc:LKHLFUVHHXCNJH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38016 ;
dbo:casNumber "38380-04-0" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38016"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LKHLFUVHHXCNJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB149" ;
skos:prefLabel "2,2',3,4',5',6-hexachloorbifenyl"@nl .
csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:42586 ;
dbo:casNumber "102256-63-3" , "57837-19-1" ;
dbo:formula "C15H21NO4" ;
dbo:inchi "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate"@en ;
dbo:pubchem "42586"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC" ;
dbp:inchikey "InChIKey=ZQEIXNIJLIKNTD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:exactMatch wise:CAS_57837-19-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mlxl" ;
skos:prefLabel "metalaxyl"@nl ;
vcs:vmmParameterId "1024"^^xsd:int .
csc:WJQZZLQMLJPKQH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15292 ;
dbo:casNumber "1570-65-6" ;
dbo:formula "C7H6Cl2O" ;
dbo:inchi "InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3" ;
dbo:iupacName "2,4-Dichloro-6-methylphenol"@en ;
dbo:pubchem "15292"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1O)Cl)Cl" ;
dbp:inchikey "InChIKey=WJQZZLQMLJPKQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "46DCl2C1yFol" ;
skos:prefLabel "4,6-dichloor-2-methylfenol"@nl .
csc:NTSLROIKFLNUIJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7728 ;
dbo:casNumber "104-90-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3" ;
dbo:iupacName "5-Ethyl-2-methylpyridine"@en ;
dbo:pubchem "7728"^^xsd:int ;
dbo:smiles "CCC1=CN=C(C=C1)C" ;
dbp:inchikey "InChIKey=NTSLROIKFLNUIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC2yprdne" ;
skos:prefLabel "methylethylpyridine"@nl .
csc:YEDUAINPPJYDJZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13625 ;
dbo:casNumber "60362-05-2" , "934-34-9" , "92353-21-4" , "4464-59-9" ;
dbo:formula "C7H5NOS" ;
dbo:inchi "InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)" ;
dbo:iupacName "3H-1,3-benzothiazol-2-one"@en ;
dbo:pubchem "13625"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=O)S2" ;
dbp:inchikey "InChIKey=YEDUAINPPJYDJZ-UHFFFAOYSA-N" ;
skos:altLabel "2-hydroxybenzothiazol"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxbenztazl" ;
skos:prefLabel "hydroxybenzothiazole"@nl .
csc:CHEMONTID_0003934
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003934 ;
skos:definition "Organosulfur compounds with the general formula SC(=S)N(R1)R2; R1-R2 = H or organyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003934" ;
skos:prefLabel "Dithiocarbamic acids and derivatives"@en .
csc:ZVZQKNVMDKSGGF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13346 ;
dbo:casNumber "867-27-6" ;
dbo:formula "C6H15O3PS2" ;
dbo:inchi "InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3" ;
dbo:iupacName "2-ethylsulfanylethoxy-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13346"^^xsd:int ;
dbo:smiles "CCSCCOP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=ZVZQKNVMDKSGGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "demeton-o-methyl"@nl .
csc:HAWJXYBZNNRMNO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47759 ;
dbo:casNumber "78320-89-5" , "65907-30-4" ;
dbo:formula "C18H26N2O5S" ;
dbo:inchi "InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3" ;
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butoxycarbonyl-methylamino)sulfanyl-N-methylcarbamate"@en ;
dbo:pubchem "47759"^^xsd:int ;
dbo:smiles "CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "InChIKey=HAWJXYBZNNRMNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furtocb" ;
skos:prefLabel "furathiocarb"@nl .
csc:XQZXYNRDCRIARQ-LURJTMIESA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65492 ;
dbo:casNumber "60166-93-0" ;
dbo:formula "C17H22I3N3O8" ;
dbo:inchi "InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1" ;
dbo:iupacName "N,N'-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "65492"^^xsd:int ;
dbo:smiles "CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O" ;
dbp:inchikey "InChIKey=XQZXYNRDCRIARQ-LURJTMIESA-N" ;
skos:altLabel "jopamidol"@nl ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopmdl" ;
skos:prefLabel "iopamidol"@nl .
csc:JFALSRSLKYAFGM-AHCXROLUSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61704 ;
dbo:casNumber "13966-29-5" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-4" ;
dbo:iupacName "uranium-234"@en ;
dbo:pubchem "61704"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U234" ;
skos:prefLabel "uranium 234"@nl .
csc:WDCYWAQPCXBPJA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7452 ;
dbo:casNumber "99-65-0" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H" ;
dbo:iupacName "1,3-Dinitrobenzene"@en ;
dbo:pubchem "7452"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=WDCYWAQPCXBPJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DNO2Ben" ;
skos:prefLabel "1,3-dinitrobenzeen"@nl .
csc:RWLALWYNXFYRGW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7211 ;
dbo:casNumber "1321-34-2" , "94-96-2" ;
dbo:formula "C8H18O2" ;
dbo:inchi "InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3" ;
dbo:iupacName "2-Ethylhexane-1,3-diol"@en ;
dbo:pubchem "7211"^^xsd:int ;
dbo:smiles "CCCC(C(CC)CO)O" ;
dbp:inchikey "InChIKey=RWLALWYNXFYRGW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yC6aDol" ;
skos:prefLabel "ethylhexaandiol"@nl .
csc:QPPBRPIAZZHUNT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5325 ;
dbo:casNumber "127-79-7" , "99482-27-6" ;
dbo:formula "C11H12N4O2S" ;
dbo:inchi "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)" ;
dbo:iupacName "4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5325"^^xsd:int ;
dbo:smiles "CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=QPPBRPIAZZHUNT-UHFFFAOYSA-N" ;
skos:altLabel "sulfamerazin"@nl ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfmrzn" ;
skos:prefLabel "sulfamerazine"@nl .
csc:HMMGMWAXVFQUOA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11169 ;
dbo:casNumber "104986-37-0" , "83874-62-8" , "556-67-2" ;
dbo:formula "C8H24O4Si4" ;
dbo:inchi "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3" ;
dbo:iupacName "2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane"@en ;
dbo:pubchem "11169"^^xsd:int ;
dbo:smiles "C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C" ;
dbp:inchikey "InChIKey=HMMGMWAXVFQUOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004445 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcC1yccT4slx" ;
skos:prefLabel "octamethylcyclotetrasiloxaan"@nl .
csc:ZROGCHDPRZRKTI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66911 ;
dbo:casNumber "104-36-9" ;
dbo:formula "C14H22O2" ;
dbo:inchi "InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" ;
dbo:iupacName "1,4-Dibutoxybenzene"@en ;
dbo:pubchem "66911"^^xsd:int ;
dbo:smiles "CCCCOC1=CC=C(C=C1)OCCCC" ;
dbp:inchikey "InChIKey=ZROGCHDPRZRKTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC4oxBen" ;
skos:prefLabel "1,4-dibutoxybenzeen"@nl .
csc:VXPLXMJHHKHSOA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24685 ;
dbo:casNumber "122-42-9" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)" ;
dbo:iupacName "propan-2-yl N-phenylcarbamate"@en ;
dbo:pubchem "24685"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=VXPLXMJHHKHSOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "profm" ;
skos:prefLabel "profam"@nl .
csc:YPCALTGLHFLNGA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32597 ;
dbo:casNumber "24691-76-7" ;
dbo:formula "C13H15NO2" ;
dbo:inchi "InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)" ;
dbo:iupacName "2-methyl-N-phenyl-5,6-dihydro-4H-pyran-3-carboxamide"@en ;
dbo:pubchem "32597"^^xsd:int ;
dbo:smiles "CC1=C(CCCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=YPCALTGLHFLNGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrcbld" ;
skos:prefLabel "pyracarbolid"@nl .
csc:AJDIZQLSFPQPEY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6428 ;
dbo:casNumber "57762-34-2" , "76-13-1" , "39349-94-5" , "59948-56-0" , "56996-61-3" ;
dbo:formula "C2Cl3F3" ;
dbo:inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" ;
dbo:iupacName "1,1,2-Trichloro-1,2,2-trifluoroethane"@en ;
dbo:pubchem "6428"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)(F)Cl" ;
dbp:inchikey "InChIKey=AJDIZQLSFPQPEY-UHFFFAOYSA-N" ;
skos:altLabel "1,1,2-trichloortrifluor-ethaan"@nl , "1,1,2-trichloor-1,2,2-trifluorethaan"@nl ;
skos:broader csc:CHEMONTID_0004521 ;
skos:exactMatch wise:CAS_76-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK113" ;
skos:prefLabel "1,1,2-trichloortrifluorethaan"@nl ;
vcs:vmmParameterId "502"^^xsd:int .
csc:CHEMONTID_0002282
skos:narrower csc:ONUFESLQCSAYKA-UHFFFAOYSA-N .
csc:CHEMONTID_0001055
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001055 ;
skos:definition "Inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VHUUQVKOLVNVRT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001055" ;
skos:prefLabel "Non-metal hydroxides"@en .
csc:CURLTUGMZLYLDI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D1, definities)"@nl , "VLAR III (D3, Art. 3.6.2.6.1) (CO2-gehalte'"@nl ;
rdfs:seeAlso compound:280 ;
dbo:casNumber "39310-68-4" , "122427-25-2" , "18923-20-1" , "12181-60-1" , "85540-96-1" , "34496-91-8" , "124-38-9" ;
dbo:formula "CO2" ;
dbo:inchi "InChI=1S/CO2/c2-1-3" ;
dbo:iupacName "carbon dioxide"@en ;
dbo:pubchem "280"^^xsd:int ;
dbo:smiles "C(=O)=O" ;
dbp:inchikey "InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "kooldioxide"@nl , "koolstofdioxide (co2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CO2" ;
skos:prefLabel "koolstofdioxide (CO2)"@nl .
csc:NDSBDLSWTGLNQA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18617 ;
dbo:casNumber "3252-43-5" ;
dbo:formula "C2HBr2N" ;
dbo:inchi "InChI=1S/C2HBr2N/c3-2(4)1-5/h2H" ;
dbo:iupacName "2,2-dibromoacetonitrile"@en ;
dbo:pubchem "18617"^^xsd:int ;
dbo:smiles "C(#N)C(Br)Br" ;
dbp:inchikey "InChIKey=NDSBDLSWTGLNQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_3252-43-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBractntl" ;
skos:prefLabel "dibroomacetonitril"@nl ;
vcs:vmmParameterId "1311"^^xsd:int .
csc:XJKSTNDFUHDPQJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7115 ;
dbo:casNumber "75831-65-1" , "26140-60-3" , "92-94-4" , "94363-13-0" ;
dbo:formula "C18H14" ;
dbo:inchi "InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H" ;
dbo:iupacName "1,4-di(phenyl)benzene"@en ;
dbo:pubchem "7115"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=XJKSTNDFUHDPQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002126 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTFy" ;
skos:prefLabel "p-terfenyl"@nl .
csc:SMWDFEZZVXVKRB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7047 ;
dbo:casNumber "91-22-5" , "20214-07-7" ;
dbo:formula "C9H7N" ;
dbo:inchi "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H" ;
dbo:iupacName "Quinoline"@en ;
dbo:pubchem "7047"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=N2" ;
dbp:inchikey "InChIKey=SMWDFEZZVXVKRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinlne" ;
skos:prefLabel "quinoline"@nl .
csc:LXQXZNRPTYVCNG-YPZZEJLDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104726 ;
dbo:casNumber "14596-10-2" , "86954-36-1" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am/i1-2" ;
dbo:iupacName "americium-241"@en ;
dbo:pubchem "104726"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "InChIKey=LXQXZNRPTYVCNG-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am241" ;
skos:prefLabel "americium 241"@nl .
csc:PXGOKWXKJXAPGV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24524 ;
dbo:casNumber "7782-41-4" , "28077-97-6" ;
dbo:formula "F2" ;
dbo:inchi "InChI=1S/F2/c1-2" ;
dbo:iupacName "molecular fluorine"@en ;
dbo:pubchem "24524"^^xsd:int ;
dbo:smiles "FF" ;
dbp:inchikey "InChIKey=PXGOKWXKJXAPGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:exactMatch wise:CAS_7782-41-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F2" ;
skos:prefLabel "difluor"@nl ;
vcs:vmmParameterId "499"^^xsd:int .
csc:OIHDCDZZRDGEIB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:291309 ;
dbo:casNumber "55282-14-9" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-4-7-10-12-14-15-16-17-18-20-22-25-26(23-9-6-3)24-21-19-13-11-8-5-2/h26H,4-25H2,1-3H3" ;
dbo:iupacName "9-butyldocosane"@en ;
dbo:pubchem "291309"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(CCCC)CCCCCCCC" ;
dbp:inchikey "InChIKey=OIHDCDZZRDGEIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C4yC22a" ;
skos:prefLabel "9-butyldocosaan"@nl .
csc:AYVZXDFCFQSWJD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:116529 ;
dbo:casNumber "64063-37-2" ;
dbo:formula "C7H7Cl2N" ;
dbo:inchi "InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3" ;
dbo:iupacName "2,6-Dichloro-3-methylaniline"@en ;
dbo:pubchem "116529"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)Cl)N)Cl" ;
dbp:inchikey "InChIKey=AYVZXDFCFQSWJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl3C1yAn" ;
skos:prefLabel "2,6-dichloor-3-methylaniline"@nl .
csc:CHEMONTID_0000454
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000454 ;
skos:definition "Inorganic compounds belonging to either the halogen hydrides, halogen nitrides, halogen oxides, or halogen sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000454" ;
skos:prefLabel "Halogen organides"@en .
csc:CXZGQIAOTKWCDB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:75921 ;
dbo:casNumber "2706-90-3" ;
dbo:formula "C5HF9O2" ;
dbo:inchi "InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid"@en ;
dbo:pubchem "75921"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=CXZGQIAOTKWCDB-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-pentaanzuur"@nl , "perfluor-n-pentaanzuur (pfpea)"@nl , "perfluorpentaanzuur (pfpea)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFPA" ;
skos:prefLabel "perfluorpentaanzuur"@nl .
csc:AMRQXHFXNZFDCH-VIFPVBQESA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:443067 ;
dbo:casNumber "16118-49-3" ;
dbo:formula "C12H16N2O3" ;
dbo:inchi "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1" ;
dbo:iupacName "[(2S)-1-ethylamino-1-oxopropan-2-yl] N-phenylcarbamate"@en ;
dbo:pubchem "443067"^^xsd:int ;
dbo:smiles "CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=AMRQXHFXNZFDCH-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:exactMatch wise:CAS_16118-49-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbtAd" ;
skos:prefLabel "carbetamide"@nl ;
vcs:vmmParameterId "1390"^^xsd:int .
csc:HQUQLFOMPYWACS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8295 ;
dbo:casNumber "115-96-8" , "68411-66-5" , "21343-84-0" ;
dbo:formula "C6H12Cl3O4P" ;
dbo:inchi "InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2" ;
dbo:iupacName "['Tris(2-chloroethyl) phosphate', 'tris(2-chloroethoxy)-hydroxyphosphanium']"@en ;
dbo:pubchem "8295"^^xsd:int ;
dbo:smiles "C(CCl)OP(=O)(OCCCl)OCCCl" ;
dbp:inchikey "InChIKey=HQUQLFOMPYWACS-UHFFFAOYSA-N" ;
skos:altLabel "tris-(2-chloorethyl)-fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T2ClC2yPO4" ;
skos:prefLabel "tri(2-chloorethyl)fosfaat"@nl .
csc:VLJSLTNSFSOYQR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12059 ;
dbo:casNumber "618-45-1" , "90480-88-9" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3" ;
dbo:iupacName "3-propan-2-ylphenol"@en ;
dbo:pubchem "12059"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC=C1)O" ;
dbp:inchikey "InChIKey=VLJSLTNSFSOYQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3iC3yFol" ;
skos:prefLabel "3-isopropylfenol"@nl .
csc:CHEMONTID_0000369
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000369 ;
skos:definition "Compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CZZYITDELCSZES-UHFFFAOYSA-N , csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N , csc:OCJYIGYOJCODJL-UHFFFAOYSA-N , csc:CDMGNVWZXRKJNS-UHFFFAOYSA-N , csc:NCKMMSIFQUPKCK-UHFFFAOYSA-N , csc:QBDSZLJBMIMQRS-UHFFFAOYSA-N , csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N , csc:AXGUBXVWZBFQGA-UHFFFAOYSA-N , csc:UOAMTSKGCBMZTC-UHFFFAOYSA-N , csc:SAPGTCDSBGMXCD-UHFFFAOYSA-N , csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N , csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N , csc:IBOFVQJTBBUKMU-UHFFFAOYSA-N , csc:JWBOIMRXGHLCPP-UHFFFAOYSA-N , csc:MDNWOSOZYLHTCG-UHFFFAOYSA-N , csc:FOANIXZHAMJWOI-UHFFFAOYSA-N , csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N , csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N , csc:AJRJPORIQGYFMT-PVOVUMCXSA-N , csc:JWUCHKBSVLQQCO-UHFFFAOYSA-N , csc:QAHFOPIILNICLA-UHFFFAOYSA-N , csc:PGYPOBZJRVSMDS-UHFFFAOYSA-N , csc:LCFVJGUPQDGYKZ-UHFFFAOYSA-N , csc:BKAYSPSVVJBHHK-UHFFFAOYSA-N , csc:YBRVSVVVWCFQMG-UHFFFAOYSA-N , csc:ZQDWXGKKHFNSQK-UHFFFAOYSA-N , csc:JPIYZTWMUGTEHX-UHFFFAOYSA-N , csc:QILSFLSDHQAZET-UHFFFAOYSA-N , csc:UPMLOUAZCHDJJD-UHFFFAOYSA-N , csc:QVYRGXJJSLMXQH-UHFFFAOYSA-N , csc:USSIQXCVUWKGNF-UHFFFAOYSA-N , csc:FMJSMJQBSVNSBF-UHFFFAOYSA-N , csc:RAPBNVDSDCTNRC-UHFFFAOYSA-N , csc:QNBTYORWCCMPQP-JXAWBTAJSA-N , csc:DERZBLKQOCDDDZ-JLHYYAGUSA-N , csc:MQCPOLNSJCWPGT-UHFFFAOYSA-N , csc:JNRLEMMIVRBKJE-UHFFFAOYSA-N , csc:NHOWDZOIZKMVAI-UHFFFAOYSA-N , csc:UDHXJZHVNHGCEC-UHFFFAOYSA-N , csc:MWKVXOJATACCCH-UHFFFAOYSA-N , csc:KNLLPAOBVIKLDE-UHFFFAOYSA-N , csc:XRQKNNNAKHZPSP-UHFFFAOYSA-N , csc:ZZVUWRFHKOJYTH-UHFFFAOYSA-N , csc:ACGUYXCXAPNIKK-UHFFFAOYSA-N , csc:RWTNPBWLLIMQHL-UHFFFAOYSA-N , csc:ZKLPARSLTMPFCP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000369" ;
skos:prefLabel "Diphenylmethanes"@en .
csc:GUTLYIVDDKVIGB-BJUDXGSMSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104844 ;
dbo:casNumber "13981-38-9" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-1" ;
dbo:iupacName "cobalt-58"@en ;
dbo:pubchem "104844"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co58" ;
skos:prefLabel "kobalt 58"@nl .
csc:CHEMONTID_0002118
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002118 ;
skos:definition "Polycyclic compounds containing an oxazole ring fused to a pyridine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VNKBTWQZTQIWDV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002118" ;
skos:prefLabel "Oxazolopyridines"@en .
csc:MKUMTCOTMQPYTQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62506 ;
dbo:casNumber "24019-05-4" ;
dbo:formula "C19H12Cl4N2O5S" ;
dbo:inchi "InChI=1S/C19H12Cl4N2O5S/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12/h1-9H,(H2,24,25,26)(H,27,28,29)" ;
dbo:iupacName "5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonic acid"@en ;
dbo:pubchem "62506"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)S(=O)(=O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=MKUMTCOTMQPYTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulcfrn" ;
skos:prefLabel "sulcofuron"@nl .
csc:CHEMONTID_0003971
skos:narrower csc:ZDPIZLCVJAAHHR-UHFFFAOYSA-N , csc:ROKVVMOXSZIDEG-UHFFFAOYSA-N , csc:REEQLXCGVXDJSQ-UHFFFAOYSA-N , csc:OLZQTUCTGLHFTQ-UHFFFAOYSA-N , csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N , csc:IVDRCZNHVGQBHZ-UHFFFAOYSA-N .
csc:FFQQCJGNKKIRMD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26181 ;
dbo:casNumber "13683-89-1" ;
dbo:formula "C8H9NO3" ;
dbo:inchi "InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)" ;
dbo:iupacName "methyl N-(3-hydroxyphenyl)carbamate"@en ;
dbo:pubchem "26181"^^xsd:int ;
dbo:smiles "COC(=O)NC1=CC(=CC=C1)O" ;
dbp:inchikey "InChIKey=FFQQCJGNKKIRMD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MHPC" ;
skos:prefLabel "methyl-3-hydroxyfenylcarbamaat"@nl .
csc:CHEMONTID_0001517
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001517 ;
skos:definition "Compounds containing a chemical bond between a carbon atom and a fluorine atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IDGBOLGHJQQORA-UHFFFAOYSA-N , csc:GDSQRBLILFKERU-UHFFFAOYSA-N , csc:COAUHYBSXMIJDK-UHFFFAOYSA-N , csc:JXMGZLBGSDLPKN-UHFFFAOYSA-N , csc:SKDFWEPBABSFMG-UHFFFAOYSA-N , csc:YMRMDGSNYHCUCL-UHFFFAOYSA-N , csc:YGFIGGVCQHKDOL-UHFFFAOYSA-N , csc:AFTSHZRGGNMLHC-UHFFFAOYSA-N , csc:JEWUXLHWYRSHJK-UHFFFAOYSA-N , csc:ZPIFKCVYZBVZIV-UHFFFAOYSA-N , csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N , csc:JQZFYIGAYWLRCC-UHFFFAOYSA-N , csc:UJIGKESMIPTWJH-UHFFFAOYSA-N , csc:CUTPKDUMZWIJKT-UHFFFAOYSA-N , csc:XAHBEACGJQDUPF-UHFFFAOYSA-N , csc:BHNZEZWIUMJCGF-UHFFFAOYSA-N , csc:LUBCGHUOCJOIJA-UHFFFAOYSA-N , csc:YERASKROMPMIBM-UHFFFAOYSA-N , csc:KVBKAPANDHPRDG-UHFFFAOYSA-N , csc:FRCHKSNAZZFGCA-UHFFFAOYSA-N , csc:IDSKMUOSMAUASS-UHFFFAOYSA-N , csc:SRCNPEKLEHSVCL-UHFFFAOYSA-N , csc:BOUGCJDAQLKBQH-UHFFFAOYSA-N , csc:ORMSTDJYMPIZAO-UHFFFAOYSA-N , csc:CYXIKYKBLDZZNW-UHFFFAOYSA-N , csc:LGUZHRODIJCVOC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001517" ;
skos:prefLabel "Organofluorides"@en .
csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6574 ;
dbo:casNumber "79-00-5" ;
dbo:formula "C2H3Cl3" ;
dbo:inchi "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2" ;
dbo:iupacName "1,1,2-TRICHLOROETHANE"@en ;
dbo:pubchem "6574"^^xsd:int ;
dbo:smiles "C(C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UBOXGVDOUJQMTN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_79-00-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TClC2a" ;
skos:prefLabel "1,1,2-trichloorethaan"@nl ;
vcs:vmmParameterId "310"^^xsd:int .
csc:AQPHBYQUCKHJLT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26164 ;
dbo:casNumber "13654-09-6" , "39282-95-6" ;
dbo:formula "C12Br10" ;
dbo:inchi "InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene"@en ;
dbo:pubchem "26164"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=AQPHBYQUCKHJLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decabroombifenyl"@nl .
csc:OTFDPNXIVHBTKW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39855 ;
dbo:casNumber "51012-32-9" ;
dbo:formula "C15H25ClN2O4S" ;
dbo:inchi "InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H" ;
dbo:iupacName "diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride"@en ;
dbo:pubchem "39855"^^xsd:int ;
dbo:smiles "CC[NH+](CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC.[Cl-]" ;
dbp:inchikey "InChIKey=OTFDPNXIVHBTKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000178 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tiapde" ;
skos:prefLabel "tiapride"@nl .
csc:CHEMONTID_0004010
skos:narrower csc:WXZOXVVKILCOPG-UHFFFAOYSA-N , csc:VNGOYPQMJFJDLV-UHFFFAOYSA-N , csc:VJAWBEFMCIINFU-UHFFFAOYSA-N , csc:GOPWOUQJIMLDDM-UHFFFAOYSA-N .
csc:IDCBOTIENDVCBQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7873 ;
dbo:casNumber "107-49-3" ;
dbo:formula "C8H20O7P2" ;
dbo:inchi "InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethoxyphosphoryl diethyl phosphate"@en ;
dbo:pubchem "7873"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OP(=O)(OCC)OCC" ;
dbp:inchikey "InChIKey=IDCBOTIENDVCBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001804 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TEPP" ;
skos:prefLabel "tetraethylpyrofosfaat"@nl .
csc:UYJUZNLFJAWNEZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19756 ;
dbo:casNumber "3878-19-1" ;
dbo:formula "C11H8N2O" ;
dbo:inchi "InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)" ;
dbo:iupacName "2-furan-2-yl-1H-benzimidazole"@en ;
dbo:pubchem "19756"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3" ;
dbp:inchikey "InChIKey=UYJUZNLFJAWNEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fubrdzl" ;
skos:prefLabel "fuberidazool"@nl .
csc:CHEMONTID_0003886
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003886 ;
skos:definition "Cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JLLJHQLUZAKJFH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003886" ;
skos:prefLabel "Imidolactams"@en .
csc:NIWWFAAXEMMFMS-YPZZEJLDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:167319 ;
dbo:casNumber "15621-76-8" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1-2" ;
dbo:iupacName "curium-245"@en ;
dbo:pubchem "167319"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "InChIKey=NIWWFAAXEMMFMS-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm245" ;
skos:prefLabel "curium 245"@nl .
csc:CHEMONTID_0000433
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000433 ;
skos:definition "Inorganic non-metallic compounds in which the largest atom is a halogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FHNFHKCVQCLJFQ-UHFFFAOYSA-N , csc:SYUHGPGVQRZVTB-UHFFFAOYSA-N , csc:GKAOGPIIYCISHV-UHFFFAOYSA-N , csc:XKRFYHLGVUSROY-UHFFFAOYSA-N , csc:SWQJXJOGLNCZEY-UHFFFAOYSA-N , csc:DNNSSWSSYDEUBZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000433" ;
skos:prefLabel "Homogeneous noble gases"@en .
csc:JJPSZKIOGBRMHK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13414 ;
dbo:casNumber "877-43-0" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3" ;
dbo:iupacName "2,6-Dimethylquinoline"@en ;
dbo:pubchem "13414"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)N=C(C=C2)C" ;
dbp:inchikey "InChIKey=JJPSZKIOGBRMHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yqnlne" ;
skos:prefLabel "2,6-dimethylquinoline"@nl .
csc:RZVAJINKPMORJF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1983 ;
dbo:casNumber "8055-08-1" , "103-90-2" ;
dbo:formula "C8H9NO2" ;
dbo:inchi "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" ;
dbo:iupacName "N-(4-Hydroxyphenyl)acetamide"@en ;
dbo:pubchem "1983"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=RZVAJINKPMORJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parctml" ;
skos:prefLabel "paracetamol"@nl .
csc:CHEMONTID_0004551
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004551 ;
skos:definition "Organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IQVNEKKDSLOHHK-FNCQTZNRSA-N , csc:ONCZDRURRATYFI-QTCHDTBASA-N , csc:QBAYIBZITZBSFO-UHFFFAOYSA-N , csc:MKXKFYHWDHIYRV-UHFFFAOYSA-N , csc:VBLXCTYLWZJBKA-UHFFFAOYSA-N , csc:GMTWWEPBGGXBTO-UHFFFAOYSA-N , csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N , csc:FFQPZWRNXKPNPX-UHFFFAOYSA-N , csc:NVGOPFQZYCNLDU-UHFFFAOYSA-N , csc:NYRMIJKDBAQCHC-UHFFFAOYSA-N , csc:UZCGKGPEKUCDTF-UHFFFAOYSA-N , csc:HSMVPDGQOIQYSR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004551" ;
skos:prefLabel "Trifluoromethylbenzenes"@en .
csc:UATJOMSPNYCXIX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7434 ;
dbo:casNumber "99-35-4" ;
dbo:formula "C6H3N3O6" ;
dbo:inchi "InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H" ;
dbo:iupacName "1,3,5-Trinitrobenzene"@en ;
dbo:pubchem "7434"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UATJOMSPNYCXIX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TNO2Ben" ;
skos:prefLabel "1,3,5-trinitrobenzeen"@nl .
csc:CHEMONTID_0000348
skos:narrower csc:IAOZJIPTCAWIRG-UHFFFAOYSA-N .
csc:WRPIRSINYZBGPK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3391107 ;
dbo:casNumber "124495-18-7" ;
dbo:formula "C15H8Cl2FNO" ;
dbo:inchi "InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H" ;
dbo:iupacName "5,7-dichloro-4-(4-fluorophenoxy)quinoline"@en ;
dbo:pubchem "3391107"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F" ;
dbp:inchikey "InChIKey=WRPIRSINYZBGPK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:exactMatch wise:CAS_124495-18-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinoxfn" ;
skos:prefLabel "quinoxyfen"@nl ;
vcs:vmmParameterId "1038"^^xsd:int .
csc:SERZNTMEVJWJSA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40919 ;
dbo:casNumber "53894-31-8" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,12H,1-4H3" ;
dbo:iupacName "4-tert-butyl-2-methoxyphenol"@en ;
dbo:pubchem "40919"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)OC" ;
dbp:inchikey "InChIKey=SERZNTMEVJWJSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DC1yC2y2C1" ;
skos:prefLabel "1,1-dimethylethyl-2-methoxyfenol"@nl .
csc:CHEMONTID_0001092
skos:narrower csc:ZNQOETZUGRUONW-UHFFFAOYSA-N , csc:SNAJJYBUNRAGEF-UHFFFAOYSA-N , csc:QYSXYAURTRCDJU-UHFFFAOYSA-N .
csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7057 ;
dbo:casNumber "91-59-8" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2" ;
dbo:iupacName "naphthalen-2-amine"@en ;
dbo:pubchem "7057"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)N" ;
dbp:inchikey "InChIKey=JBIJLHTVPXGSAM-UHFFFAOYSA-N" ;
skos:altLabel "2-aminonaftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoNaf" ;
skos:prefLabel "2-naftylamine"@nl .
csc:LHJGJYXLEPZJPM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7271 ;
dbo:casNumber "95-95-4" , "77001-45-7" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H" ;
dbo:iupacName "2,4,5-Trichlorophenol"@en ;
dbo:pubchem "7271"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)O" ;
dbp:inchikey "InChIKey=LHJGJYXLEPZJPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_95-95-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TClFol" ;
skos:prefLabel "2,4,5-trichloorfenol"@nl ;
vcs:vmmParameterId "344"^^xsd:int .
csc:YMTINGFKWWXKFG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3339 ;
dbo:casNumber "49562-28-9" ;
dbo:formula "C20H21ClO4" ;
dbo:inchi "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3" ;
dbo:iupacName "propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate"@en ;
dbo:pubchem "3339"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=YMTINGFKWWXKFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfbt" ;
skos:prefLabel "fenofibraat"@nl .
csc:CHEMONTID_0000491
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000491 ;
skos:definition "Compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RCRHKXGEYNVPDK-UHFFFAOYSA-N , csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N , csc:IAZDPXIOMUYVGZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000491" ;
skos:prefLabel "Sulfoxides"@en .
csc:WHXSMMKQMYFTQS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3028194 ;
dbo:casNumber "7439-93-2" , "64975-42-4" , "159577-72-7" ;
dbo:formula "Li" ;
dbo:inchi "InChI=1S/Li" ;
dbo:iupacName "LITHIUM"@en ;
dbo:pubchem "3028194"^^xsd:int ;
dbo:smiles "[Li]" ;
dbp:inchikey "InChIKey=WHXSMMKQMYFTQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:exactMatch wise:CAS_7439-93-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Li" ;
skos:prefLabel "lithium"@nl ;
vcs:vmmParameterId "689"^^xsd:int .
csc:CHEMONTID_0003865
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003865 ;
skos:definition "Organic compounds consisting of an assembly of cations and anions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VVAQOYUUECXZAZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003865" ;
skos:prefLabel "Organic salts"@en .
csc:MFYSYFVPBJMHGN-ZPOLXVRWSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:222786 ;
dbo:casNumber "53-06-5" ;
dbo:formula "C21H28O5" ;
dbo:inchi "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione"@en ;
dbo:pubchem "222786"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C" ;
dbp:inchikey "InChIKey=MFYSYFVPBJMHGN-ZPOLXVRWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cortsn" ;
skos:prefLabel "cortison"@nl .
csc:CBCIHIVRDWLAME-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8576 ;
dbo:casNumber "131-73-7" ;
dbo:formula "C12H5N7O12" ;
dbo:inchi "InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H" ;
dbo:iupacName "2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline"@en ;
dbo:pubchem "8576"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=CBCIHIVRDWLAME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DpicAe" ;
skos:prefLabel "dipicrylamine"@nl .
csc:QYSXYAURTRCDJU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6537503 ;
dbo:casNumber "25265-71-8" ;
dbo:formula "C6H14O3" ;
dbo:inchi "InChI=1S/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1-(1-hydroxypropoxy)propan-1-ol"@en ;
dbo:pubchem "6537503"^^xsd:int ;
dbo:smiles "CCC(O)OC(CC)O" ;
dbp:inchikey "InChIKey=QYSXYAURTRCDJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3eygcl" ;
skos:prefLabel "dipropyleenglycol"@nl .
csc:KBOPZPXVLCULAV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4075 ;
dbo:casNumber "89-57-6" , "61513-32-4" ;
dbo:formula "C7H7NO3" ;
dbo:inchi "InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)" ;
dbo:iupacName "5-Amino-2-hydroxybenzoic acid"@en ;
dbo:pubchem "4075"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)C(=O)O)O" ;
dbp:inchikey "InChIKey=KBOPZPXVLCULAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002948 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meslzne" ;
skos:prefLabel "mesalazine"@nl .
csc:ALEROMXYYSQFLX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8970 ;
dbo:casNumber "146-50-9" , "71850-09-4" , "68515-50-4" ;
dbo:formula "C20H30O4" ;
dbo:inchi "InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3" ;
dbo:iupacName "bis(4-methylpentyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8970"^^xsd:int ;
dbo:smiles "CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C" ;
dbp:inchikey "InChIKey=ALEROMXYYSQFLX-UHFFFAOYSA-N" ;
skos:altLabel "di-isohexylftalaat (mix van isomeren)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isohexylftalaat"@nl .
csc:DGLIBALSRMUQDD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9273 ;
dbo:casNumber "298-03-3" ;
dbo:formula "C8H19O3PS2" ;
dbo:inchi "InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "9273"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OCCSCC" ;
dbp:inchikey "InChIKey=DGLIBALSRMUQDD-UHFFFAOYSA-N" ;
skos:altLabel "demeton-O"@nl ;
skos:broader csc:CHEMONTID_0003384 ;
skos:exactMatch wise:CAS_298-03-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtnO" ;
skos:prefLabel "demeton-o"@nl ;
vcs:vmmParameterId "395"^^xsd:int .
csc:WJQOZHYUIDYNHM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6923 ;
dbo:casNumber "27178-34-3" , "88-18-6" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3" ;
dbo:iupacName "2-tert-Butylphenol"@en ;
dbo:pubchem "6923"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=WJQOZHYUIDYNHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ttC4yFol" ;
skos:prefLabel "2-tert-butylfenol"@nl .
csc:MXWJVTOOROXGIU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2256 ;
dbo:casNumber "93616-39-8" , "12797-72-7" , "11121-31-6" , "69771-31-9" , "39400-72-1" , "1912-24-9" , "12040-45-8" ;
dbo:formula "C8H14ClN5" ;
dbo:inchi "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)" ;
dbo:iupacName "6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "2256"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)C" ;
dbp:inchikey "InChIKey=MXWJVTOOROXGIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:exactMatch wise:CAS_1912-24-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atzne" ;
skos:prefLabel "atrazine"@nl ;
vcs:vmmParameterId "268"^^xsd:int .
csc:LXCFILQKKLGQFO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7456 ;
dbo:casNumber "99-76-3" ;
dbo:formula "C8H8O3" ;
dbo:inchi "InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3" ;
dbo:iupacName "Methyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7456"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y4HOxbzat" ;
skos:prefLabel "methyl-4-hydroxybenzoaat"@nl .
csc:RBNIGDFIUWJJEV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40521 ;
dbo:casNumber "52756-25-9" ;
dbo:formula "C17H15ClFNO3" ;
dbo:inchi "InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3" ;
dbo:iupacName "methyl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "40521"^^xsd:int ;
dbo:smiles "CC(C(=O)OC)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=RBNIGDFIUWJJEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yfpp" ;
skos:prefLabel "methylflamprop"@nl .
csc:YLJLLELGHSWIDU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61898 ;
dbo:casNumber "1593-77-7" , "31717-87-0" ;
dbo:formula "C20H39NO3" ;
dbo:inchi "InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 4-cyclododecyl-2,6-dimethylmorpholine"@en ;
dbo:pubchem "61898"^^xsd:int ;
dbo:smiles "CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O" ;
dbp:inchikey "InChIKey=YLJLLELGHSWIDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodmf" ;
skos:prefLabel "dodemorf"@nl .
csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5455 ;
dbo:casNumber "56645-31-9" , "39456-80-9" , "66173-72-6" , "137-26-8" , "93196-73-7" , "12680-62-5" , "12680-07-8" ;
dbo:formula "C6H12N2S4" ;
dbo:inchi "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3" ;
dbo:iupacName "dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate"@en ;
dbo:pubchem "5455"^^xsd:int ;
dbo:smiles "CN(C)C(=S)SSC(=S)N(C)C" ;
dbp:inchikey "InChIKey=KUAZQDVKQLNFPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004791 ;
skos:exactMatch wise:CAS_137-26-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thirm" ;
skos:prefLabel "thiram"@nl ;
vcs:vmmParameterId "1473"^^xsd:int .
csc:AGOYDEPGAOXOCK-KCBOHYOISA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:84029 ;
dbo:casNumber "116836-41-0" , "81103-11-9" ;
dbo:formula "C38H69NO13" ;
dbo:inchi "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"@en ;
dbo:pubchem "84029"^^xsd:int ;
dbo:smiles "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O" ;
dbp:inchikey "InChIKey=AGOYDEPGAOXOCK-KCBOHYOISA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:exactMatch wise:CAS_81103-11-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clartmcne" ;
skos:prefLabel "claritromycine"@nl ;
vcs:vmmParameterId "1410"^^xsd:int .
csc:IPKKHRVROFYTEK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8561 ;
dbo:casNumber "131-18-0" ;
dbo:formula "C18H26O4" ;
dbo:inchi "InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3" ;
dbo:iupacName "dipentyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8561"^^xsd:int ;
dbo:smiles "CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC" ;
dbp:inchikey "InChIKey=IPKKHRVROFYTEK-UHFFFAOYSA-N" ;
skos:altLabel "di-n-pentylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_131-18-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC5yFt" ;
skos:prefLabel "dipentylftalaat"@nl ;
vcs:vmmParameterId "70"^^xsd:int .
csc:CHEMONTID_0000327
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000327 ;
skos:definition "Organic compounds containing two phosphonate groups linked together through a carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DBVJJBKOTRCVKF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000327" ;
skos:prefLabel "Bisphosphonates"@en .
csc:DHWRNDJOGMTCPB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91612 ;
dbo:casNumber "34205-21-5" ;
dbo:formula "C15H19ClN4O3" ;
dbo:inchi "InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)" ;
dbo:iupacName "3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "91612"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2)NC(=O)N(C)C)Cl" ;
dbp:inchikey "InChIKey=DHWRNDJOGMTCPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmfrn" ;
skos:prefLabel "dimefuron"@nl .
csc:YBUIAJZFOGJGLJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:107065 ;
dbo:casNumber "68039-35-0" , "32388-55-9" , "126239-49-4" ;
dbo:formula "C17H26O" ;
dbo:inchi "InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3" ;
dbo:iupacName "1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone"@en ;
dbo:pubchem "107065"^^xsd:int ;
dbo:smiles "CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C" ;
dbp:inchikey "InChIKey=YBUIAJZFOGJGLJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATCD" ;
skos:prefLabel "acetylcedreen"@nl .
csc:CHEMONTID_0001469
skos:narrower csc:UPGTYLFCVNHBTN-XMLQVSDQSA-N , csc:QYIXCDOBOSTCEI-UHFFFAOYSA-N , csc:QYIXCDOBOSTCEI-NWKZBHTNSA-N , csc:PESKGJQREUXSRR-UHFFFAOYSA-N , csc:PESKGJQREUXSRR-JDIFZLMISA-N , csc:NYOXRYYXRWJDKP-UHFFFAOYSA-N , csc:HVYWMOMLDIMFJA-DPAQBDIFSA-N , csc:AVSXSVCZWQODGV-DPAQBDIFSA-N .
csc:CHEMONTID_0004445
skos:narrower csc:HTDJPCNNEPUOOQ-UHFFFAOYSA-N , csc:HMMGMWAXVFQUOA-UHFFFAOYSA-N , csc:CDNNKGWZSNSADW-UHFFFAOYSA-N .
csc:HAXBIWFMXWRORI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9158 ;
dbo:casNumber "207-08-9" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H" ;
dbo:iupacName "Benzo[k]fluoranthene"@en ;
dbo:pubchem "9158"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1" ;
dbp:inchikey "InChIKey=HAXBIWFMXWRORI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_207-08-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BkF" ;
skos:prefLabel "benzo(k)fluorantheen"@nl ;
vcs:vmmParameterId "1426"^^xsd:int , "424"^^xsd:int .
csc:CUUQUEAUUPYEKK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93012 ;
dbo:casNumber "5877-42-9" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3" ;
dbo:iupacName "4-Ethyloct-1-yn-3-ol"@en ;
dbo:pubchem "93012"^^xsd:int ;
dbo:smiles "CCCCC(CC)C(C#C)O" ;
dbp:inchikey "InChIKey=CUUQUEAUUPYEKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2y1ot3ol" ;
skos:prefLabel "4-ethyl-1-octyn-3-ol"@nl .
csc:JYHCQVWYCGHXGP-BPPSBWQWSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280962 ;
dbo:casNumber "60-54-8" ;
dbo:formula "C22H24N2O8" ;
dbo:inchi "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3/b20-14-/t9-,10-,15-,21+,22-/m0/s1" ;
dbo:iupacName "['(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione', '(4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione']"@en ;
dbo:pubchem "5280962"^^xsd:int ;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O" ;
dbp:inchikey "InChIKey=JYHCQVWYCGHXGP-BPPSBWQWSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ccne" ;
skos:prefLabel "tetracycline"@nl .
csc:DLAPIMGBBDILHJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19577 ;
dbo:casNumber "3761-41-9" ;
dbo:formula "C10H15O4PS2" ;
dbo:inchi "InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19577"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C" ;
dbp:inchikey "InChIKey=DLAPIMGBBDILHJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoSO" ;
skos:prefLabel "fenthion-sulfoxide"@nl .
csc:FAXWFCTVSHEODL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12005 ;
dbo:casNumber "615-58-7" ;
dbo:formula "C6H4Br2O" ;
dbo:inchi "InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" ;
dbo:iupacName "2,4-Dibromophenol"@en ;
dbo:pubchem "12005"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)O" ;
dbp:inchikey "InChIKey=FAXWFCTVSHEODL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002769 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DBrFol" ;
skos:prefLabel "2,4-dibroomfenol"@nl .
csc:CYESCLHCWJKRKM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16854 ;
dbo:casNumber "2327-02-8" ;
dbo:formula "C7H6Cl2N2O" ;
dbo:inchi "InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)" ;
dbo:iupacName "(3,4-DICHLOROPHENYL)UREA"@en ;
dbo:pubchem "16854"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)N)Cl)Cl" ;
dbp:inchikey "InChIKey=CYESCLHCWJKRKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "134DClFyurum" ;
skos:prefLabel "1-(3,4-dichloorfenyl)ureum"@nl .
csc:QDRXWCAVUNHOGA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93315 ;
dbo:casNumber "57960-19-7" , "191490-28-5" ;
dbo:formula "C24H32O4" ;
dbo:inchi "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3" ;
dbo:iupacName "(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate"@en ;
dbo:pubchem "93315"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C" ;
dbp:inchikey "InChIKey=QDRXWCAVUNHOGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acqncl" ;
skos:prefLabel "acequinocyl"@nl .
csc:BOUGCJDAQLKBQH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17822 ;
dbo:casNumber "2837-89-0" ;
dbo:formula "C2HClF4" ;
dbo:inchi "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "2-CHLORO-1,1,1,2-TETRAFLUOROETHANE"@en ;
dbo:pubchem "17822"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(F)Cl" ;
dbp:inchikey "InChIKey=BOUGCJDAQLKBQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK124" ;
skos:prefLabel "2-chloor-1,1,1,2-tetrafluorethaan"@nl .
csc:IYIKLHRQXLHMJQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2157 ;
dbo:casNumber "1951-25-3" ;
dbo:formula "C25H29I2NO3" ;
dbo:inchi "InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3" ;
dbo:iupacName "(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone"@en ;
dbo:pubchem "2157"^^xsd:int ;
dbo:smiles "CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I" ;
dbp:inchikey "InChIKey=IYIKLHRQXLHMJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004297 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amodne" ;
skos:prefLabel "amiodarone"@nl .
csc:CHEMONTID_0003276
skos:narrower csc:YYDNBUBMBZRNQQ-UHFFFAOYSA-N , csc:WEAYCYAIVOIUMG-UHFFFAOYSA-N .
csc:XOGPDSATLSAZEK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8341 ;
dbo:casNumber "117-79-3" ;
dbo:formula "C14H9NO2" ;
dbo:inchi "InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2" ;
dbo:iupacName "2-aminoanthracene-9,10-dione"@en ;
dbo:pubchem "8341"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N" ;
dbp:inchikey "InChIKey=XOGPDSATLSAZEK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003952 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aoatcnn" ;
skos:prefLabel "2-aminoanthrachinon"@nl .
csc:CHEMONTID_0002049
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002049 ;
skos:definition "Prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002049" ;
skos:prefLabel "Terpene glycosides"@en .
csc:QDDHZFKCHWYXJF-PCLMCNLLSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5463942 ;
dbo:casNumber "24390-14-5" , "62149-53-5" ;
dbo:formula "C46H58Cl2N4O18" ;
dbo:inchi "InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;3H,2H2,1H3;2*1H;1H2/b2*21-13+;;;;/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1" ;
dbo:iupacName "(2E,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride"@en ;
dbo:pubchem "5463942"^^xsd:int ;
dbo:smiles "CCO.CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.O.Cl.Cl" ;
dbp:inchikey "InChIKey=QDDHZFKCHWYXJF-PCLMCNLLSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doxccnhct" ;
skos:prefLabel "doxycycline hyclaat"@nl .
csc:BJLRAKFWOUAROE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98478 ;
dbo:casNumber "38621-99-7" , "2500-83-6" ;
dbo:formula "C12H16O2" ;
dbo:inchi "InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3" ;
dbo:iupacName "8-tricyclo[5.2.1.02,6]dec-4-enyl acetate"@en ;
dbo:pubchem "98478"^^xsd:int ;
dbo:smiles "CC(=O)OC1CC2CC1C3C2CC=C3" ;
dbp:inchikey "InChIKey=BJLRAKFWOUAROE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDPA" ;
skos:prefLabel "verdyl acetaat"@nl .
csc:MBIPADCEHSKJDQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28481 ;
dbo:casNumber "17334-55-3" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3" ;
dbo:iupacName "1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene"@en ;
dbo:pubchem "28481"^^xsd:int ;
dbo:smiles "CC1CCC=C2C1(C3C(C3(C)C)CC2)C" ;
dbp:inchikey "InChIKey=MBIPADCEHSKJDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "calrn" ;
skos:prefLabel "calareen"@nl .
csc:UFBJCMHMOXMLKC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1493 ;
dbo:casNumber "51-28-5" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "2,4-Dinitrophenol"@en ;
dbo:pubchem "1493"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=UFBJCMHMOXMLKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2Fol" ;
skos:prefLabel "2,4-dinitrofenol"@nl .
csc:AKEJUJNQAAGONA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'SO3'"@nl , "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'"@nl , "VLAR II Art. 5.7.3.1 'zwaveltrioxide'"@nl ;
rdfs:seeAlso compound:24682 ;
dbo:casNumber "7446-11-9" , "12210-38-7" ;
dbo:formula "O3S" ;
dbo:inchi "InChI=1S/O3S/c1-4(2)3" ;
dbo:iupacName "SULFUR TRIOXIDE"@en ;
dbo:pubchem "24682"^^xsd:int ;
dbo:smiles "O=S(=O)=O" ;
dbp:inchikey "InChIKey=AKEJUJNQAAGONA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_008 ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "zwaveltrioxide (SO3)"@nl .
csc:JJDFVIDVSCYKDS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:99068 ;
dbo:casNumber "78948-79-5" , "144975-27-9" , "7027-11-4" ;
dbo:formula "C10H15NO" ;
dbo:inchi "InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3" ;
dbo:iupacName "1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile"@en ;
dbo:pubchem "99068"^^xsd:int ;
dbo:smiles "CC1(CC(=O)CC(C1)(C)C#N)C" ;
dbp:inchikey "InChIKey=JJDFVIDVSCYKDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrntl" ;
skos:prefLabel "isoforon-nitril"@nl .
csc:HVZJRWJGKQPSFL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61247 ;
dbo:casNumber "994-05-8" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3" ;
dbo:iupacName "2-Methoxy-2-methylbutane"@en ;
dbo:pubchem "61247"^^xsd:int ;
dbo:smiles "CCC(C)(C)OC" ;
dbp:inchikey "InChIKey=HVZJRWJGKQPSFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox2C1yC4a" ;
skos:prefLabel "2-methoxy-2-methylbutaan"@nl .
csc:CHEMONTID_0000364
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000364 ;
skos:definition "Compounds comprising the organic carbonic acid or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XMJHPCRAQCTCFT-UHFFFAOYSA-N , csc:XDOTVMNBCQVZKG-MKICQXMISA-N , csc:RIFGWPKJUGCATF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000364" ;
skos:prefLabel "Organic carbonic acids and derivatives"@en .
csc:AQIXEPGDORPWBJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11428 ;
dbo:casNumber "584-02-1" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "Pentan-3-ol"@en ;
dbo:pubchem "11428"^^xsd:int ;
dbo:smiles "CCC(CC)O" ;
dbp:inchikey "InChIKey=AQIXEPGDORPWBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C5ol" ;
skos:prefLabel "3-pentanol"@nl .
csc:GFSTXYOTEVLASN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3085828 ;
dbo:casNumber "72573-82-1" ;
dbo:formula "C16H28GdN4O8+3" ;
dbo:inchi "InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3" ;
dbo:iupacName "gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"@en ;
dbo:pubchem "3085828"^^xsd:int ;
dbo:smiles "C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]" ;
dbp:inchikey "InChIKey=GFSTXYOTEVLASN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadtzr" ;
skos:prefLabel "gadoteerzuur"@nl .
csc:IZNAUZVEFQFMON-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41562 ;
dbo:casNumber "55724-73-7" ;
dbo:formula "C8H16O3" ;
dbo:inchi "InChI=1S/C8H16O3/c1-2-3-6-11-7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)" ;
dbo:iupacName "4-BUTOXYBUTANOIC ACID"@en ;
dbo:pubchem "41562"^^xsd:int ;
dbo:smiles "CCCCOCCCC(=O)O" ;
dbp:inchikey "InChIKey=IZNAUZVEFQFMON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C4oxC4azr" ;
skos:prefLabel "4-butoxybutaanzuur"@nl .
csc:CHEMONTID_0004482
skos:narrower csc:XXIDKSWYSYEFAG-UHFFFAOYSA-N , csc:NMBXMBCZBXUXAM-UHFFFAOYSA-N , csc:NFACJZMKEDPNKN-UHFFFAOYSA-N .
csc:XBRCDWHXULVEFB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91481 ;
dbo:casNumber "668-34-8" ;
dbo:formula "C18H15Sn+" ;
dbo:inchi "InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1" ;
dbo:iupacName "triphenylstannanylium"@en ;
dbo:pubchem "91481"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=XBRCDWHXULVEFB-UHFFFAOYSA-N" ;
skos:altLabel "trifenyltin"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFySn" ;
skos:prefLabel "trifenyltin (kation)"@nl .
csc:FVUGZKDGWGKCFE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:108242 ;
dbo:casNumber "54464-57-2" , "166090-45-5" , "239809-44-0" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3" ;
dbo:iupacName "1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "108242"^^xsd:int ;
dbo:smiles "CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C" ;
dbp:inchikey "InChIKey=FVUGZKDGWGKCFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OTNE" ;
skos:prefLabel "amberonne"@nl .
csc:CHEMONTID_0000279
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000279 ;
skos:definition "Naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000279" ;
skos:prefLabel "Alkaloids and derivatives"@en .
csc:RXUSYFJGDZFVND-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9108 ;
dbo:casNumber "189-64-0" , "58615-36-4" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene"@en ;
dbo:pubchem "9108"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC6=CC=CC=C56)C=C3" ;
dbp:inchikey "InChIKey=RXUSYFJGDZFVND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBahP" ;
skos:prefLabel "dibenzo(a,h)pyreen"@nl .
csc:DZKXJUASMGQEMA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18605 ;
dbo:casNumber "3234-85-3" ;
dbo:formula "C28H56O2" ;
dbo:inchi "InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3" ;
dbo:iupacName "Tetradecyl tetradecanoate"@en ;
dbo:pubchem "18605"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=DZKXJUASMGQEMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14azrC14yEs" ;
skos:prefLabel "tetradecaanzuur, tetradecylester"@nl .
csc:HMNKTRSOROOSPP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12101 ;
dbo:casNumber "620-17-7" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3" ;
dbo:iupacName "3-Ethylphenol"@en ;
dbo:pubchem "12101"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC=C1)O" ;
dbp:inchikey "InChIKey=HMNKTRSOROOSPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yFol" ;
skos:prefLabel "3-ethylfenol"@nl .
csc:LAXBNTIAOJWAOP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:249266 ;
dbo:casNumber "27323-18-8" , "2051-60-7" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H" ;
dbo:iupacName "1-chloro-2-phenylbenzene"@en ;
dbo:pubchem "249266"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2Cl" ;
dbp:inchikey "InChIKey=LAXBNTIAOJWAOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB1" ;
skos:prefLabel "2-chloorbifenyl"@nl .
csc:VWQVUPCCIRVNHF-BJUDXGSMSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:105173 ;
dbo:casNumber "13982-36-0" ;
dbo:formula "Y" ;
dbo:inchi "InChI=1S/Y/i1-1" ;
dbo:iupacName "yttrium-88"@en ;
dbo:pubchem "105173"^^xsd:int ;
dbo:smiles "[Y]" ;
dbp:inchikey "InChIKey=VWQVUPCCIRVNHF-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Y88" ;
skos:prefLabel "yttrium 88"@nl .
csc:OBZIQQJJIKNWNO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91664 ;
dbo:casNumber "78617-09-1" , "57018-04-9" ;
dbo:formula "C9H11Cl2O3PS" ;
dbo:inchi "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3" ;
dbo:iupacName "(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "91664"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl" ;
dbp:inchikey "InChIKey=OBZIQQJJIKNWNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_57018-04-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolcfsC1y" ;
skos:prefLabel "tolclofos-methyl"@nl ;
vcs:vmmParameterId "733"^^xsd:int .
csc:KBQHZAAAGSGFKK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23912 ;
dbo:casNumber "123943-90-8" , "7429-91-6" , "110123-47-2" ;
dbo:formula "Dy" ;
dbo:inchi "InChI=1S/Dy" ;
dbo:iupacName "DYSPROSIUM"@en ;
dbo:pubchem "23912"^^xsd:int ;
dbo:smiles "[Dy]" ;
dbp:inchikey "InChIKey=KBQHZAAAGSGFKK-UHFFFAOYSA-N" ;
skos:altLabel "Dysprosium"@nl ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dy" ;
skos:prefLabel "dysprosium"@nl .
csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'"@nl ;
rdfs:seeAlso compound:13381 ;
dbo:casNumber "108778-38-7" , "25189-70-2" , "872-05-9" , "105054-87-3" , "68037-01-4" ;
dbo:formula "C10H20" ;
dbo:inchi "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3" ;
dbo:iupacName "Dec-1-ene"@en ;
dbo:pubchem "13381"^^xsd:int ;
dbo:smiles "CCCCCCCCC=C" ;
dbp:inchikey "InChIKey=AFFLGGQVNFXPEV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_005 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C10e" ;
skos:prefLabel "1-deceen"@nl .
csc:AMSPWOYQQAWRRM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6451057 ;
dbo:casNumber "220899-03-6" ;
dbo:formula "C19H21BrO5" ;
dbo:inchi "InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3" ;
dbo:iupacName "(3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone"@en ;
dbo:pubchem "6451057"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1C(=O)C2=C(C=CC(=C2C)Br)OC)OC)OC)OC" ;
dbp:inchikey "InChIKey=AMSPWOYQQAWRRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metfnn" ;
skos:prefLabel "metrafenon"@nl .
csc:REHONNLQRWTIFF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:63090 ;
dbo:casNumber "57465-28-8" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63090"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=REHONNLQRWTIFF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 126"@nl , "3,3',4,4',5-pentachloorbifenyl (pcb126)"@nl , "3,3',4,4',5-pentachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_57465-28-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB126" ;
skos:prefLabel "PCB 126"@nl ;
vcs:vmmParameterId "1254"^^xsd:int .
csc:BULLHNJGPPOUOX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6571 ;
dbo:casNumber "78-95-5" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3" ;
dbo:iupacName "1-chloropropan-2-one"@en ;
dbo:pubchem "6571"^^xsd:int ;
dbo:smiles "CC(=O)CCl" ;
dbp:inchikey "InChIKey=BULLHNJGPPOUOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004809 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clactn" ;
skos:prefLabel "chlooraceton"@nl .
csc:VWQVUPCCIRVNHF-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104964 ;
dbo:casNumber "14234-24-3" ;
dbo:formula "Y" ;
dbo:inchi "InChI=1S/Y/i1+2" ;
dbo:iupacName "yttrium-91"@en ;
dbo:pubchem "104964"^^xsd:int ;
dbo:smiles "[Y]" ;
dbp:inchikey "InChIKey=VWQVUPCCIRVNHF-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Y91" ;
skos:prefLabel "yttrium 91"@nl .
csc:RLIPQCDHACHPJW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:73844 ;
dbo:casNumber "1467-35-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3" ;
dbo:iupacName "2,3,4-Trimethylaniline"@en ;
dbo:pubchem "73844"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)N)C)C" ;
dbp:inchikey "InChIKey=RLIPQCDHACHPJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TC1yAn" ;
skos:prefLabel "2,3,4-trimethylaniline"@nl .
csc:NDYULEPTCXJCJM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6399257 ;
dbo:casNumber "53404-60-7" ;
dbo:formula "C5H9N2NaS2" ;
dbo:inchi "InChI=1S/C5H9N2S2.Na/c1-6-3-7(2)5(8)9-4-6;/h4H,3H2,1-2H3;/q-1;+1" ;
dbo:iupacName "Sodium 3,5-dimethyl-1,3,5-thiadiazinane-2-thione"@en ;
dbo:pubchem "6399257"^^xsd:int ;
dbo:smiles "CN1CN(C(=S)S[CH-]1)C.[Na+]" ;
dbp:inchikey "InChIKey=NDYULEPTCXJCJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dazmNazt" ;
skos:prefLabel "dazomet natriumzout"@nl .
csc:WXTMDXOMEHJXQO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3469 ;
dbo:casNumber "490-79-9" ;
dbo:formula "C7H6O4" ;
dbo:inchi "InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)" ;
dbo:iupacName "2,5-Dihydroxybenzoic acid"@en ;
dbo:pubchem "3469"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1O)C(=O)O)O" ;
dbp:inchikey "InChIKey=WXTMDXOMEHJXQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001248 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gentsnzr" ;
skos:prefLabel "gentisinezuur"@nl .
csc:CHEMONTID_0000258
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000258 ;
skos:definition "Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000258" ;
skos:prefLabel "Steroids and steroid derivatives"@en .
csc:UOAMTSKGCBMZTC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8268 ;
dbo:casNumber "115-32-2" ;
dbo:formula "C14H9Cl5O" ;
dbo:inchi "InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H" ;
dbo:iupacName "2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol"@en ;
dbo:pubchem "8268"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl" ;
dbp:inchikey "InChIKey=UOAMTSKGCBMZTC-UHFFFAOYSA-N" ;
skos:altLabel "p,p’-dicofol"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_115-32-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfl" ;
skos:prefLabel "dicofol"@nl ;
vcs:vmmParameterId "1464"^^xsd:int .
csc:QSJXEFYPDANLFS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:650 ;
dbo:casNumber "625-34-3" , "431-03-8" , "151677-70-2" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3" ;
dbo:iupacName "Butane-2,3-dione"@en ;
dbo:pubchem "650"^^xsd:int ;
dbo:smiles "CC(=O)C(=O)C" ;
dbp:inchikey "InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001223 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23C4aDon" ;
skos:prefLabel "2,3-butadion"@nl .
csc:BPRYUXCVCCNUFE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10698 ;
dbo:casNumber "527-60-6" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3" ;
dbo:iupacName "2,4,6-TRIMETHYLPHENOL"@en ;
dbo:pubchem "10698"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)O)C" ;
dbp:inchikey "InChIKey=BPRYUXCVCCNUFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yFol" ;
skos:prefLabel "2,4,6-trimethylfenol"@nl .
csc:IKVXBIIHQGXQRQ-CYBMUJFWSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94583 ;
dbo:casNumber "63782-90-1" ;
dbo:formula "C19H19ClFNO3" ;
dbo:inchi "InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m1/s1" ;
dbo:iupacName "propan-2-yl (2R)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "94583"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=IKVXBIIHQGXQRQ-CYBMUJFWSA-N" ;
skos:altLabel "flamprop-M-isopropyl"@nl ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flampMiC3y" ;
skos:prefLabel "flamprop-m-isopropyl"@nl .
csc:KCXZNSGUUQJJTR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6786 ;
dbo:casNumber "68610-82-2" , "84-75-3" ;
dbo:formula "C20H30O4" ;
dbo:inchi "InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3" ;
dbo:iupacName "dihexyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6786"^^xsd:int ;
dbo:smiles "CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC" ;
dbp:inchikey "InChIKey=KCXZNSGUUQJJTR-UHFFFAOYSA-N" ;
skos:altLabel "di-n-hexylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC6yFt" ;
skos:prefLabel "dihexylftalaat"@nl .
csc:ZFHGXWPMULPQSE-WTKPLQERSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281874 ;
dbo:casNumber "79538-32-2" , "76437-51-9" , "93907-48-3" ;
dbo:formula "C17H14ClF7O2" ;
dbo:inchi "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-" ;
dbo:iupacName "['(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate', '(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "5281874"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)F)F" ;
dbp:inchikey "InChIKey=ZFHGXWPMULPQSE-WTKPLQERSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "teftn" ;
skos:prefLabel "tefluthrin"@nl .
csc:YIVXMZJTEQBPQO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1489 ;
dbo:casNumber "94-82-6" ;
dbo:formula "C10H10Cl2O3" ;
dbo:inchi "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)" ;
dbo:iupacName "4-(2,4-Dichlorophenoxy)butanoic acid"@en ;
dbo:pubchem "1489"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O" ;
dbp:inchikey "InChIKey=YIVXMZJTEQBPQO-UHFFFAOYSA-N" ;
skos:altLabel "2,4-dichloorfenoxyboterzuur"@nl , "(2,4-dichloorfenoxy)boterzuur (2,4-db)"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_94-82-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DB" ;
skos:prefLabel "2,4-dichloorfenoxybutaanzuur"@nl ;
vcs:vmmParameterId "490"^^xsd:int .
csc:QAYICIQNSGETAS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10788 ;
dbo:casNumber "533-74-4" , "55146-10-6" ;
dbo:formula "C5H10N2S2" ;
dbo:inchi "InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3" ;
dbo:iupacName "3,5-Dimethyl-1,3,5-thiadiazinane-2-thione"@en ;
dbo:pubchem "10788"^^xsd:int ;
dbo:smiles "CN1CN(C(=S)SC1)C" ;
dbp:inchikey "InChIKey=QAYICIQNSGETAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dazmt" ;
skos:prefLabel "dazomet"@nl .
csc:VEZCTZWLJYWARH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:41510 ;
dbo:casNumber "55673-89-7" ;
dbo:formula "C12HCl7O" ;
dbo:inchi "InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H" ;
dbo:iupacName "1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "41510"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VEZCTZWLJYWARH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,7,8,9-heptachloordibenzofuran"@nl , "1,2,3,4,7,8,9-heptachloordibenzofuraan (hpcdf)"@nl , " 1,2,3,4,7,8,9-heptachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_55673-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF134" ;
skos:prefLabel "1,2,3,4,7,8,9-heptachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1245"^^xsd:int .
csc:IXQGCWUGDFDQMF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6997 ;
dbo:casNumber "25429-37-2" , "90-00-6" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3" ;
dbo:iupacName "2-Ethylphenol"@en ;
dbo:pubchem "6997"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=IXQGCWUGDFDQMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yFol" ;
skos:prefLabel "2-ethylfenol"@nl .
csc:AWMVMTVKBNGEAK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7276 ;
dbo:casNumber "67253-49-0" , "96-09-3" , "62497-63-6" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2" ;
dbo:iupacName "2-Phenyloxirane"@en ;
dbo:pubchem "7276"^^xsd:int ;
dbo:smiles "C1C(O1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=AWMVMTVKBNGEAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12epOxC2yBen" ;
skos:prefLabel "1,2-epoxyethylbenzeen"@nl .
csc:NLMRMVVMKCKWFL-YRNVUSSQSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5491759 ;
dbo:casNumber "39184-27-5" ;
dbo:formula "C9H18N2O3S" ;
dbo:inchi "InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+" ;
dbo:iupacName "[(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5491759"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CS(=O)C" ;
dbp:inchikey "InChIKey=NLMRMVVMKCKWFL-YRNVUSSQSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnSO" ;
skos:prefLabel "thiofanox-sulfoxide"@nl .
csc:CHEMONTID_0003213
skos:narrower csc:UEBFLTZXUXZPJO-UHFFFAOYSA-N , csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N .
csc:AZZMGZXNTDTSME-XJTDMATHSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9570740 ;
dbo:casNumber "63527-52-6" ;
dbo:formula "C16H16N5NaO7S2" ;
dbo:inchi "InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m0./s1" ;
dbo:iupacName "sodium (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9570740"^^xsd:int ;
dbo:smiles "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=AZZMGZXNTDTSME-XJTDMATHSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceftxme" ;
skos:prefLabel "cefotaxime"@nl .
csc:HICJAEZEEBOKGV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213014 ;
dbo:casNumber "173159-57-4" ;
dbo:formula "C17H20N6O7S" ;
dbo:inchi "InChI=1S/C17H20N6O7S/c1-23(2)15(25)10-6-5-7-11(18-9-24)14(10)31(27,28)22-17(26)21-16-19-12(29-3)8-13(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)" ;
dbo:iupacName "2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide"@en ;
dbo:pubchem "213014"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C1=C(C(=CC=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC" ;
dbp:inchikey "InChIKey=HICJAEZEEBOKGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forasfrn" ;
skos:prefLabel "foramsulfuron"@nl .
csc:CHEMONTID_0001379
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001379 ;
skos:definition "Organic compounds containing a benzene ring fused to a 1,4-dioxin ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001379" ;
skos:prefLabel "Benzo-p-dioxins"@en .
csc:IZRXCFCWDMSBQY-NXURVHCDSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5284437 ;
dbo:casNumber "2058-46-0" ;
dbo:formula "C22H25ClN2O9" ;
dbo:inchi "InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;1H/b20-11-;/t12-,13-,14+,17+,21-,22+;/m1./s1" ;
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en ;
dbo:pubchem "5284437"^^xsd:int ;
dbo:smiles "CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.Cl" ;
dbp:inchikey "InChIKey=IZRXCFCWDMSBQY-NXURVHCDSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxT4ccnHCl" ;
skos:prefLabel "oxytetracycline hydrochloride"@nl .
csc:XXSIKMDLPWYFIJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:176452 ;
dbo:casNumber "27176-97-2" ;
dbo:formula "C23H40O5" ;
dbo:inchi "InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)28-21-20-27-19-18-26-17-16-25-15-14-24/h9-10,12-13,24H,2-8,11,14-21H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "176452"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCO" ;
dbp:inchikey "InChIKey=XXSIKMDLPWYFIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO4" ;
skos:prefLabel "nonylfenoltetraethoxylaat"@nl .
csc:SMUQFGGVLNAIOZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7060 ;
dbo:casNumber "91-63-4" , "27601-00-9" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3" ;
dbo:iupacName "2-Methylquinoline"@en ;
dbo:pubchem "7060"^^xsd:int ;
dbo:smiles "CC1=NC2=CC=CC=C2C=C1" ;
dbp:inchikey "InChIKey=SMUQFGGVLNAIOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yqnlne" ;
skos:prefLabel "2-methylquinoline"@nl .
csc:XMGQYMWWDOXHJM-JTQLQIEISA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:440917 ;
dbo:casNumber "5989-27-5" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1" ;
dbo:iupacName "(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "440917"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "InChIKey=XMGQYMWWDOXHJM-JTQLQIEISA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dlimnn" ;
skos:prefLabel "d-limoneen"@nl .
csc:HGMYRFJAJNYBRX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:63097 ;
dbo:casNumber "52663-65-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-6(15)3-7(16)11(18)12(9)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "63097"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HGMYRFJAJNYBRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB176" ;
skos:prefLabel "2,2',3,3',4,6,6'-heptachloorbifenyl"@nl .
csc:XKTMIJODWOEBKO-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20803 ;
dbo:casNumber "260057-95-2" , "4680-78-8" ;
dbo:formula "C37H35N2NaO6S2" ;
dbo:inchi "InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1" ;
dbo:iupacName "sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]phenyl]amino]methyl]benzenesulfonate"@en ;
dbo:pubchem "20803"^^xsd:int ;
dbo:smiles "CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]" ;
dbp:inchikey "InChIKey=XKTMIJODWOEBKO-UHFFFAOYSA-M" ;
skos:altLabel "C.I. Acid Green 3"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ciagn3" ;
skos:prefLabel "c.i. acid green 3"@nl .
csc:CHEMONTID_0000301
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000301 ;
skos:definition "Organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WXNZYYXXILQTKX-UHFFFAOYSA-N , csc:IMKHDCBNRDRUEB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000301" ;
skos:prefLabel "Benzofurans"@en .
csc:BHYQWBKCXBXPKM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3015044 ;
dbo:casNumber "19186-97-1" , "134376-16-2" , "36483-58-6" ;
dbo:formula "C15H24Br9O4P" ;
dbo:inchi "InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2" ;
dbo:iupacName "tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate"@en ;
dbo:pubchem "3015044"^^xsd:int ;
dbo:smiles "C(C(CBr)(CBr)CBr)OP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr" ;
dbp:inchikey "InChIKey=BHYQWBKCXBXPKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "trisTBrnoC5y" ;
skos:prefLabel "tris(tribroomneopentyl)fosfaat"@nl .
csc:CHEMONTID_0000295
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000295 ;
skos:definition "Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000295" ;
skos:prefLabel "Benzodiazepines"@en .
csc:RFLHUYUQCKHUKS-JUODUXDSSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9571073 ;
dbo:casNumber "80370-57-6" , "104010-37-9" ;
dbo:formula "C19H16N5NaO7S3" ;
dbo:inchi "InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1" ;
dbo:iupacName "sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9571073"^^xsd:int ;
dbo:smiles "CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=RFLHUYUQCKHUKS-JUODUXDSSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceftofr" ;
skos:prefLabel "ceftiofur"@nl .
csc:CHEMONTID_0002044
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002044 ;
skos:definition "Compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NZOWVZVFSVRNOR-UHFFFAOYSA-N , csc:VSVAQRUUFVBBFS-UHFFFAOYSA-N , csc:OWUZCVPRFKSBRG-UHFFFAOYSA-N , csc:LNDUTAIPEYOCDF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002044" ;
skos:prefLabel "Phenylnaphthalenes"@en .
csc:OYEHPCDNVJXUIW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23940 ;
dbo:casNumber "7440-07-5" , "22541-44-2" , "22541-69-1" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu" ;
dbo:iupacName "PLUTONIUM"@en ;
dbo:pubchem "23940"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu" ;
skos:prefLabel "plutonium"@nl .
csc:BDERNNFJNOPAEC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:1031 ;
dbo:casNumber "62309-51-7" , "71-23-8" ;
dbo:formula "C3H8O" ;
dbo:inchi "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3" ;
dbo:iupacName "Propan-1-ol"@en ;
dbo:pubchem "1031"^^xsd:int ;
dbo:smiles "CCCO" ;
dbp:inchikey "InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_009 ;
skos:altLabel "propanol"@nl ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3ol" ;
skos:prefLabel "n-propanol"@nl .
csc:CHEMONTID_0001443
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001443 ;
skos:definition "Polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001443" ;
skos:prefLabel "Triazolopyrimidines"@en .
csc:LEONUFNNVUYDNQ-OIOBTWANSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161054 ;
dbo:casNumber "14331-97-6" ;
dbo:formula "V" ;
dbo:inchi "InChI=1S/V/i1-3" ;
dbo:iupacName "vanadium-48"@en ;
dbo:pubchem "161054"^^xsd:int ;
dbo:smiles "[V]" ;
dbp:inchikey "InChIKey=LEONUFNNVUYDNQ-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "V48" ;
skos:prefLabel "vanadium 48"@nl .
csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31404 ;
dbo:casNumber "42615-30-5" , "102962-45-8" , "950-56-1" , "50641-99-1" , "83047-16-9" , "128-37-0" , "58500-82-6" , "52683-46-2" , "97123-41-6" , "50356-19-9" , "53571-70-3" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3" ;
dbo:iupacName "2,6-ditert-butyl-4-methylphenol"@en ;
dbo:pubchem "31404"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=NLZUEZXRPGMBCV-UHFFFAOYSA-N" ;
skos:altLabel "butylhydroxytolueen (bht)"@nl , "butylhydroxytolueen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_128-37-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BHT" ;
skos:prefLabel "butylhydroxytolueen (BHT)"@nl ;
vcs:vmmParameterId "1511"^^xsd:int .
csc:WPALTCMYPARVNV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10110536 ;
dbo:casNumber "129558-76-5" ;
dbo:formula "C21H22ClN3O2" ;
dbo:inchi "InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)" ;
dbo:iupacName "4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide"@en ;
dbo:pubchem "10110536"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C" ;
dbp:inchikey "InChIKey=WPALTCMYPARVNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfprd" ;
skos:prefLabel "tolfenpyrad"@nl .
csc:CHEMONTID_0001984
skos:narrower csc:XMAYWYJOQHXEEK-ZEQKJWHPSA-N , csc:VRBKIVRKKCLPHA-UHFFFAOYSA-N , csc:VHVPQPYKVGDNFY-ZPGVKDDISA-N , csc:VHFVKMTVMIZMIK-UHFFFAOYSA-N , csc:RAGOYPUPXAKGKH-XAKZXMRKSA-N .
csc:RMMXLENWKUUMAY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65999 ;
dbo:casNumber "144701-48-4" ;
dbo:formula "C33H30N4O2" ;
dbo:inchi "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)" ;
dbo:iupacName "2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid"@en ;
dbo:pubchem "65999"^^xsd:int ;
dbo:smiles "CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C" ;
dbp:inchikey "InChIKey=RMMXLENWKUUMAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "telmstn" ;
skos:prefLabel "telmisartan"@nl .
csc:CHEMONTID_0002506
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002506 ;
skos:definition "Natural products derived from 3-phenylchromen-4-one."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002506" ;
skos:prefLabel "Isoflavonoids"@en .
csc:XAIPTRIXGHTTNT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47445 ;
dbo:casNumber "64628-44-0" ;
dbo:formula "C15H10ClF3N2O3" ;
dbo:inchi "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)" ;
dbo:iupacName "2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide"@en ;
dbo:pubchem "47445"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=XAIPTRIXGHTTNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfmrn" ;
skos:prefLabel "triflumuron"@nl .
csc:JHFAEUICJHBVHB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65531 ;
dbo:casNumber "59-48-3" , "16990-73-1" ;
dbo:formula "C8H7NO" ;
dbo:inchi "InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H" ;
dbo:iupacName "1H-Indol-2-ol"@en ;
dbo:pubchem "65531"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C(N2)O" ;
dbp:inchikey "InChIKey=JHFAEUICJHBVHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DHindl2on" ;
skos:prefLabel "2,3-dihydroindol-2-on"@nl .
csc:CHEMONTID_0000274
skos:narrower csc:DZBUGLKDJFMEHC-UHFFFAOYSA-N .
csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4189 ;
dbo:casNumber "75319-47-0" , "22916-47-8" ;
dbo:formula "C18H14Cl4N2O" ;
dbo:inchi "InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole"@en ;
dbo:pubchem "4189"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=BYBLEWFAAKGYCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:exactMatch wise:CAS_22916-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "micanzl" ;
skos:prefLabel "miconazol"@nl ;
vcs:vmmParameterId "1189"^^xsd:int .
csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91743 ;
dbo:casNumber "126518-70-5" , "87237-48-7" ;
dbo:formula "C19H19ClF3NO5" ;
dbo:inchi "InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3" ;
dbo:iupacName "2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "91743"^^xsd:int ;
dbo:smiles "CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=MIJLZGZLQLAQCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfC2oxC2" ;
skos:prefLabel "haloxyfop-ethoxyethyl"@nl .
csc:ACTOXUHEUCPTEW-JMRHEKERSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6419898 ;
dbo:casNumber "8025-81-8" ;
dbo:formula "C43H74N2O14" ;
dbo:inchi "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1" ;
dbo:iupacName "['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde']"@en ;
dbo:pubchem "6419898"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "InChIKey=ACTOXUHEUCPTEW-JMRHEKERSA-N" ;
skos:altLabel "spiramycine (i+ii+iii)"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcne" ;
skos:prefLabel "spiramycine (I+II+III)"@nl .
csc:CZZYITDELCSZES-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7580 ;
dbo:casNumber "101-81-5" ;
dbo:formula "C13H12" ;
dbo:inchi "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2" ;
dbo:iupacName "phenylmethylbenzene"@en ;
dbo:pubchem "7580"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CZZYITDELCSZES-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyC1a" ;
skos:prefLabel "difenylmethaan"@nl .
csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:185831 ;
dbo:casNumber "56046-17-4" ;
dbo:formula "C10H14N2O" ;
dbo:inchi "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)" ;
dbo:iupacName "(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "185831"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)N" ;
dbp:inchikey "InChIKey=ABBKOIZWGCVCKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14iC3yFyurum" ;
skos:prefLabel "1-(4-isopropylfenyl)ureum"@nl .
csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33443 ;
dbo:casNumber "26259-45-0" , "38473-42-6" , "11096-33-6" ;
dbo:formula "C10H19N5O" ;
dbo:inchi "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "33443"^^xsd:int ;
dbo:smiles "CCC(C)NC1=NC(=NC(=N1)NCC)OC" ;
dbp:inchikey "InChIKey=ZJMZZNVGNSWOOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004731 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secbmtn" ;
skos:prefLabel "secbumeton"@nl .
csc:YTOPFCCWCSOHFV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32518 ;
dbo:casNumber "24602-86-6" , "81412-43-3" ;
dbo:formula "C19H39NO" ;
dbo:inchi "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3" ;
dbo:iupacName "2,6-Dimethyl-4-tridecylmorpholine"@en ;
dbo:pubchem "32518"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCN1CC(OC(C1)C)C" ;
dbp:inchikey "InChIKey=YTOPFCCWCSOHFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tdmf" ;
skos:prefLabel "tridemorf"@nl .
csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6384 ;
dbo:casNumber "75-63-8" , "62395-25-9" ;
dbo:formula "CBrF3" ;
dbo:inchi "InChI=1S/CBrF3/c2-1(3,4)5" ;
dbo:iupacName "bromo-trifluoromethane"@en ;
dbo:pubchem "6384"^^xsd:int ;
dbo:smiles "C(F)(F)(F)Br" ;
dbp:inchikey "InChIKey=RJCQBQGAPKAMLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1301" ;
skos:prefLabel "broomtrifluormethaan"@nl .
csc:FWFUWXVFYKCSQA-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3034154 ;
dbo:casNumber "115137-50-3" , "15214-89-8" , "86848-82-0" , "113996-54-6" , "171063-24-4" , "5165-97-9" , "112666-19-0" , "152634-06-5" , "95243-13-3" , "76701-57-0" , "192388-82-2" , "129701-88-8" ;
dbo:formula "C7H12NNaO4S" ;
dbo:inchi "InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1" ;
dbo:iupacName "sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate"@en ;
dbo:pubchem "3034154"^^xsd:int ;
dbo:smiles "CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]" ;
dbp:inchikey "InChIKey=FWFUWXVFYKCSQA-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2acamd2C1yC3" ;
skos:prefLabel "2-acrylamido-2-methylpropaansulfonzuur"@nl .
csc:CHEMONTID_0000189
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000189 ;
skos:definition "Compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GLUUGHFHXGJENI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000189" ;
skos:prefLabel "Piperazines"@en .
csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17631 ;
dbo:casNumber "2719-64-4" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-4-ylbenzene"@en ;
dbo:pubchem "17631"^^xsd:int ;
dbo:smiles "CCCCCCCCC(CCC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=RHDHXBLZBVAPTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3yC9yBen" ;
skos:prefLabel "(1-propylnonyl)-benzeen"@nl .
csc:JXTHNDFMNIQAHM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6597 ;
dbo:casNumber "42428-47-7" , "79-43-6" ;
dbo:formula "C2H2Cl2O2" ;
dbo:inchi "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)" ;
dbo:iupacName "2,2-Dichloroacetic acid"@en ;
dbo:pubchem "6597"^^xsd:int ;
dbo:smiles "C(C(=O)O)(Cl)Cl" ;
dbp:inchikey "InChIKey=JXTHNDFMNIQAHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClHAc" ;
skos:prefLabel "dichloorazijnzuur"@nl .
csc:CHEMONTID_0002564
skos:narrower csc:ICUTUKXCWQYESQ-UHFFFAOYSA-N , csc:AYVZXDFCFQSWJD-UHFFFAOYSA-N , csc:FUNUTBJJKQIVSY-UHFFFAOYSA-N , csc:PYZRQGJRPPTADH-UHFFFAOYSA-N , csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N , csc:LQDARGUHUSPFNL-UHFFFAOYSA-N , csc:STJLVHWMYQXCPB-UHFFFAOYSA-N , csc:UMPSXRYVXUPCOS-UHFFFAOYSA-N , csc:DWRKFAJEBUWTQM-UHFFFAOYSA-N , csc:HJJVPARKXDDIQD-UHFFFAOYSA-N , csc:KFAKZJUYBOYVKA-UHFFFAOYSA-N , csc:CJDWRQLODFKPEL-UHFFFAOYSA-N , csc:CYESCLHCWJKRKM-UHFFFAOYSA-N , csc:JDMFXJULNGEPOI-UHFFFAOYSA-N , csc:IGUYEXXAGBDLLX-UHFFFAOYSA-N , csc:GGNLTHFTYNDYNK-UHFFFAOYSA-N , csc:STJMRWALKKWQGH-UHFFFAOYSA-N , csc:YOYAIZYFCNQIRF-UHFFFAOYSA-N , csc:SOUGWDPPRBKJEX-UHFFFAOYSA-N , csc:FYWJWWMKCARWQG-UHFFFAOYSA-N , csc:DTDSAWVUFPGDMX-UHFFFAOYSA-N , csc:HFZWRUODUSTPEG-UHFFFAOYSA-N , csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N , csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N , csc:DVOODWOZJVJKQR-UHFFFAOYSA-N , csc:YXEOEPYIBGTLML-UHFFFAOYSA-N , csc:DCOPUUMXTXDBNB-UHFFFAOYSA-N , csc:AKNQMEBLVAMSNZ-UHFFFAOYSA-N , csc:AGKSTYPVMZODRV-UHFFFAOYSA-N , csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N , csc:VPOMSPZBQMDLTM-UHFFFAOYSA-N , csc:WYUIWKFIFOJVKW-UHFFFAOYSA-N , csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N , csc:YIVXMZJTEQBPQO-UHFFFAOYSA-N , csc:LOOAGTDYKNUDBZ-UXBLZVDNSA-N , csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N , csc:KGKGSIUWJCAFPX-UHFFFAOYSA-N , csc:LRUUNMYPIBZBQH-UHFFFAOYSA-N , csc:FSAVDKDHPDSCTO-XYOKQWHBSA-N , csc:YRSSHOVRSMQULE-UHFFFAOYSA-N , csc:WJQZZLQMLJPKQH-UHFFFAOYSA-N , csc:KGVXVPRLBMWZLG-UHFFFAOYSA-N , csc:WDNBURPWRNALGP-UHFFFAOYSA-N , csc:DMEDNTFWIHCBRK-UHFFFAOYSA-N , csc:AEHJMNVBLRLZKK-UHFFFAOYSA-N , csc:AVYGCQXNNJPXSS-UHFFFAOYSA-N , csc:RANCECPPZPIPNO-UHFFFAOYSA-N , csc:STMIIPIFODONDC-UHFFFAOYSA-N , csc:ZPQOPVIELGIULI-UHFFFAOYSA-N , csc:FITIWKDOCAUBQD-UHFFFAOYSA-N , csc:FSAVDKDHPDSCTO-WQLSENKSSA-N , csc:FSCWZHGZWWDELK-UHFFFAOYSA-N , csc:GWLKCPXYBLCEKC-UHFFFAOYSA-N , csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N , csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N , csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N , csc:CHNUNORXWHYHNE-UHFFFAOYSA-N .
csc:FOHHWGVAOVDVLP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12477 ;
dbo:casNumber "635-22-3" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2" ;
dbo:iupacName "4-Chloro-3-nitroaniline"@en ;
dbo:pubchem "12477"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=FOHHWGVAOVDVLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3NO2An" ;
skos:prefLabel "4-chloor-3-nitroaniline"@nl .
csc:AKPLHCDWDRPJGD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2997 ;
dbo:casNumber "1088-11-5" ;
dbo:formula "C15H11ClN2O" ;
dbo:inchi "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)" ;
dbo:iupacName "7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "2997"^^xsd:int ;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=AKPLHCDWDRPJGD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC1yDazpm" ;
skos:prefLabel "desmethyldiazepam"@nl .
csc:ZSDSQXJSNMTJDA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5569 ;
dbo:casNumber "75635-23-3" , "71281-30-6" , "1582-09-8" , "61373-95-3" , "39300-53-3" , "52627-52-8" ;
dbo:formula "C13H16F3N3O4" ;
dbo:inchi "InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" ;
dbo:iupacName "2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "5569"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ZSDSQXJSNMTJDA-UHFFFAOYSA-N" ;
skos:altLabel "trifluralin"@nl ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_1582-09-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfrlne" ;
skos:prefLabel "trifluraline"@nl ;
vcs:vmmParameterId "417"^^xsd:int .
csc:PXWLVJLKJGVOKE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3778 ;
dbo:casNumber "88205-06-5" , "128065-64-5" , "12542-35-7" , "479-92-5" ;
dbo:formula "C14H18N2O" ;
dbo:inchi "InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3" ;
dbo:iupacName "1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one"@en ;
dbo:pubchem "3778"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C" ;
dbp:inchikey "InChIKey=PXWLVJLKJGVOKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfnzn" ;
skos:prefLabel "propyfenazon"@nl .
csc:CHEMONTID_0000253
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000253 ;
skos:definition "Organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RGLYKWWBQGJZGM-ISLYRVAYSA-N , csc:AERGGMDNGDDGPI-UHFFFAOYSA-N , csc:NKANXQFJJICGDU-QPLCGJKRSA-N , csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N ;
skos:notation "CHEMONTID:0000253" ;
skos:prefLabel "Stilbenes"@en .
csc:OGGXGZAMXPVRFZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2513 ;
dbo:casNumber "58114-73-1" , "11126-73-1" , "75-60-5" , "917-76-0" , "8073-10-7" ;
dbo:formula "C2H7AsO2" ;
dbo:inchi "InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)" ;
dbo:iupacName "Dimethylarsinic acid"@en ;
dbo:pubchem "2513"^^xsd:int ;
dbo:smiles "C[As](=O)(C)O" ;
dbp:inchikey "InChIKey=OGGXGZAMXPVRFZ-UHFFFAOYSA-N" ;
skos:altLabel "dimethylarseenzuur"@nl ;
skos:broader csc:CHEMONTID_0004239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAszr" ;
skos:prefLabel "dimethyl arseenzuur"@nl .
csc:APFVFJFRJDLVQX-AHCXROLUSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462099 ;
dbo:casNumber "15750-15-9" ;
dbo:formula "In" ;
dbo:inchi "InChI=1S/In/i1-4" ;
dbo:iupacName "indium-111"@en ;
dbo:pubchem "5462099"^^xsd:int ;
dbo:smiles "[In]" ;
dbp:inchikey "InChIKey=APFVFJFRJDLVQX-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "In111" ;
skos:prefLabel "indium 111"@nl .
csc:MIORUQGGZCBUGO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23998 ;
dbo:casNumber "7440-72-4" ;
dbo:formula "Fm" ;
dbo:inchi "InChI=1S/Fm" ;
dbo:iupacName "FERMIUM"@en ;
dbo:pubchem "23998"^^xsd:int ;
dbo:smiles "[Fm]" ;
dbp:inchikey "InChIKey=MIORUQGGZCBUGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fm" ;
skos:prefLabel "fermium"@nl .
csc:ASCDQPSSGQOUOI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159424 ;
dbo:casNumber "12060-05-8" ;
dbo:formula "O7Re2-14" ;
dbo:inchi "InChI=1S/7O.2Re/q7*-2;;" ;
dbo:iupacName "oxygen(2-);rhenium"@en ;
dbo:pubchem "159424"^^xsd:int ;
dbo:smiles "[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]" ;
dbp:inchikey "InChIKey=ASCDQPSSGQOUOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DReTO" ;
skos:prefLabel "dirhenium trioxide"@nl .
csc:MBMBGCFOFBJSGT-KUBAVDMBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:445580 ;
dbo:casNumber "6217-54-5" , "25377-50-8" ;
dbo:formula "C22H32O2" ;
dbo:inchi "InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-" ;
dbo:iupacName "(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid"@en ;
dbo:pubchem "445580"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O" ;
dbp:inchikey "InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC22aHxzr" ;
skos:prefLabel "cis-4,7,10,13,16,19-docosahexaeenzuur"@nl .
csc:JPIYZTWMUGTEHX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10298 ;
dbo:casNumber "492-80-8" , "105913-60-8" ;
dbo:formula "C17H21N3" ;
dbo:inchi "InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3" ;
dbo:iupacName "4-(4-dimethylaminobenzenecarboximidoyl)-N,N-dimethylaniline"@en ;
dbo:pubchem "10298"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "InChIKey=JPIYZTWMUGTEHX-UHFFFAOYSA-N" ;
skos:altLabel "c.i. solvent yellow 34"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisyw34" ;
skos:prefLabel "C.I. Solvent Yellow 34"@nl .
csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13263 ;
dbo:casNumber "834-12-8" ;
dbo:formula "C9H17N5S" ;
dbo:inchi "InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)" ;
dbo:iupacName "N'-ethyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13263"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NC(C)C" ;
dbp:inchikey "InChIKey=RQVYBGPQFYCBGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_834-12-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtn" ;
skos:prefLabel "ametryn"@nl ;
vcs:vmmParameterId "1076"^^xsd:int .
csc:CHEMONTID_0001401
skos:narrower csc:ULDHMXUKGWMISQ-VIFPVBQESA-N , csc:WUOACPNHFRMFPN-VIFPVBQESA-N , csc:XMGQYMWWDOXHJM-SNVBAGLBSA-N , csc:LMXFTMYMHGYJEI-UHFFFAOYSA-N , csc:JGKJMBOJWVAMIJ-UHFFFAOYSA-N , csc:XMGQYMWWDOXHJM-JTQLQIEISA-N , csc:XMGQYMWWDOXHJM-UHFFFAOYSA-N , csc:ULDHMXUKGWMISQ-UHFFFAOYSA-N , csc:NOOLISFMXDJSKH-KXUCPTDWSA-N , csc:WRYLYDPHFGVWKC-UHFFFAOYSA-N .
csc:FFINMCNLQNTKLU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3739 ;
dbo:casNumber "606-17-7" ;
dbo:formula "C20H14I6N2O6" ;
dbo:inchi "InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)" ;
dbo:iupacName "3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid"@en ;
dbo:pubchem "3739"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I" ;
dbp:inchikey "InChIKey=FFINMCNLQNTKLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jodpAd" ;
skos:prefLabel "jodipamide"@nl .
csc:NPNIZCVKXVRCHF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:79828 ;
dbo:casNumber "5756-24-1" , "85931-55-1" ;
dbo:formula "C2H6S4" ;
dbo:inchi "InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3" ;
dbo:iupacName "methyldisulfanyldisulfanylmethane"@en ;
dbo:pubchem "79828"^^xsd:int ;
dbo:smiles "CSSSSC" ;
dbp:inchikey "InChIKey=NPNIZCVKXVRCHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003260 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yT4S" ;
skos:prefLabel "dimethyltetrasulfide"@nl .
csc:HCWPIIXVSYCSAN-OIOBTWANSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335825 ;
dbo:casNumber "15623-45-7" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1-3" ;
dbo:iupacName "radium-223"@en ;
dbo:pubchem "6335825"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "InChIKey=HCWPIIXVSYCSAN-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra223" ;
skos:prefLabel "radium 223"@nl .
csc:LBGPXIPGGRQBJW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39425 ;
dbo:casNumber "49866-87-7" ;
dbo:formula "C17H17N2+" ;
dbo:inchi "InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1" ;
dbo:iupacName "1,2-dimethyl-3,5-di(phenyl)pyrazol-1-ium"@en ;
dbo:pubchem "39425"^^xsd:int ;
dbo:smiles "CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=LBGPXIPGGRQBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfzqt" ;
skos:prefLabel "difenzoquat"@nl .
csc:NLXGURFLBLRZRO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8147 ;
dbo:casNumber "111-91-1" ;
dbo:formula "C5H10Cl2O2" ;
dbo:inchi "InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxymethoxy)ethane"@en ;
dbo:pubchem "8147"^^xsd:int ;
dbo:smiles "C(CCl)OCOCCCl" ;
dbp:inchikey "InChIKey=NLXGURFLBLRZRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2ClC2oxC1" ;
skos:prefLabel "bis(2-chloorethoxy)methaan"@nl .
csc:XSQUKJJJFZCRTK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1176 ;
dbo:casNumber "173144-80-4" , "57-13-6" , "174693-33-5" , "30535-50-3" , "37955-36-5" , "173994-65-5" , "175276-38-7" , "4744-36-9" ;
dbo:formula "CH4N2O" ;
dbo:inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" ;
dbo:iupacName "UREA"@en ;
dbo:pubchem "1176"^^xsd:int ;
dbo:smiles "C(=O)(N)N" ;
dbp:inchikey "InChIKey=XSQUKJJJFZCRTK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_003 ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "urum" ;
skos:prefLabel "ureum"@nl .
csc:FCOAHACKGGIURQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33294 ;
dbo:casNumber "72779-52-3" , "62601-78-9" , "26087-47-8" ;
dbo:formula "C13H21O3PS" ;
dbo:inchi "InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3" ;
dbo:iupacName "di(propan-2-yloxy)phosphorylsulfanylmethylbenzene"@en ;
dbo:pubchem "33294"^^xsd:int ;
dbo:smiles "CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=FCOAHACKGGIURQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipnfs" ;
skos:prefLabel "iprobenfos"@nl .
csc:CAYGQBVSOZLICD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6905 ;
dbo:casNumber "87-82-1" ;
dbo:formula "C6Br6" ;
dbo:inchi "InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9" ;
dbo:iupacName "1,2,3,4,5,6-hexabromobenzene"@en ;
dbo:pubchem "6905"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=CAYGQBVSOZLICD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxBrBen" ;
skos:prefLabel "hexabroombenzeen"@nl .
csc:XMBWDFGMSWQBCA-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161029 ;
dbo:casNumber "14158-32-8" ;
dbo:formula "HI" ;
dbo:inchi "InChI=1S/HI/h1H/i1-1" ;
dbo:iupacName "Iodane-126"@en ;
dbo:pubchem "161029"^^xsd:int ;
dbo:smiles "I" ;
dbp:inchikey "InChIKey=XMBWDFGMSWQBCA-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I126" ;
skos:prefLabel "jodium 126"@nl .
csc:RTKIYNMVFMVABJ-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5908 ;
dbo:casNumber "11004-81-2" , "8030-32-8" , "113170-85-7" , "2141-27-7" , "23065-35-2" , "54-64-8" , "25948-50-9" , "77536-61-9" , "130995-49-2" ;
dbo:formula "C9H9HgNaO2S" ;
dbo:inchi "InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2" ;
dbo:iupacName "sodium (2-carboxylatophenyl)sulfanyl-ethylmercury"@en ;
dbo:pubchem "5908"^^xsd:int ;
dbo:smiles "CC[Hg+].C1=CC=C(C(=C1)C(=O)[O-])[S-].[Na+]" ;
dbp:inchikey "InChIKey=RTKIYNMVFMVABJ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Namtolt" ;
skos:prefLabel "natriummerthiolaat"@nl .
csc:WGVYCXYGPNNUQA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6992 ;
dbo:casNumber "28777-60-8" , "89-92-9" ;
dbo:formula "C8H9Br" ;
dbo:inchi "InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3" ;
dbo:iupacName "1-(Bromomethyl)-2-methylbenzene"@en ;
dbo:pubchem "6992"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1CBr" ;
dbp:inchikey "InChIKey=WGVYCXYGPNNUQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003979 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1BrC1y2C1yBe" ;
skos:prefLabel "1-(broommethyl)-2-methylbenzeen"@nl .
csc:YBRVSVVVWCFQMG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7577 ;
dbo:casNumber "101-77-9" , "28602-61-1" , "83712-44-1" ;
dbo:formula "C13H14N2" ;
dbo:inchi "InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2" ;
dbo:iupacName "4-[(4-aminophenyl)methyl]aniline"@en ;
dbo:pubchem "7577"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CC2=CC=C(C=C2)N)N" ;
dbp:inchikey "InChIKey=YBRVSVVVWCFQMG-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleendianiline"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yeDAn" ;
skos:prefLabel "4,4'-diaminodifenylmethaan"@nl .
csc:XMBWDFGMSWQBCA-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433622 ;
dbo:casNumber "15046-84-1" ;
dbo:formula "HI" ;
dbo:inchi "InChI=1S/HI/h1H/i1+2" ;
dbo:iupacName "Iodane-129"@en ;
dbo:pubchem "6433622"^^xsd:int ;
dbo:smiles "I" ;
dbp:inchikey "InChIKey=XMBWDFGMSWQBCA-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I129" ;
skos:prefLabel "jodium 129"@nl .
csc:CHEMONTID_0001857
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001857 ;
skos:definition "Compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MXBVNILGVJVVMH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001857" ;
skos:prefLabel "Naphthyridines"@en .
csc:CKLLRBPBZLTGDJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37250 ;
dbo:casNumber "35694-06-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "37250"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CKLLRBPBZLTGDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB137" ;
skos:prefLabel "2,2',3,4,4',5-hexachloorbifenyl"@nl .
csc:KPUREKXXPHOJQT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:175967 ;
dbo:casNumber "435270-61-4" , "104206-82-8" , "207996-81-4" ;
dbo:formula "C14H13NO7S" ;
dbo:inchi "InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" ;
dbo:iupacName "2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione"@en ;
dbo:pubchem "175967"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=KPUREKXXPHOJQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004673 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meston" ;
skos:prefLabel "mesotrion"@nl .
csc:IWEDIXLBFLAXBO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3030 ;
dbo:casNumber "62610-39-3" , "1918-00-9" ;
dbo:formula "C8H6Cl2O3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)" ;
dbo:iupacName "3,6-Dichloro-2-methoxybenzoic acid"@en ;
dbo:pubchem "3030"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=IWEDIXLBFLAXBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002345 ;
skos:exactMatch wise:CAS_1918-00-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcba" ;
skos:prefLabel "dicamba"@nl ;
vcs:vmmParameterId "459"^^xsd:int .
csc:CHEMONTID_0000147
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000147 ;
skos:definition "Organic compounds containing a lactone ring of at least twelve members."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RRZXIRBKKLTSOM-XPNPUAGNSA-N , csc:WPNHOHPRXXCPRA-TVXIRPTOSA-N , csc:WQYWHGOKYSMVFW-ZOKDRQBOSA-N , csc:IBSREHMXUMOFBB-MVGRHBATSA-N , csc:AXKZIDYFAMKWSA-UHFFFAOYSA-N , csc:QLFZZSKTJWDQOS-NJPOTTGESA-N ;
skos:notation "CHEMONTID:0000147" ;
skos:prefLabel "Macrolides and analogues"@en .
csc:WYUIWKFIFOJVKW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7256 ;
dbo:casNumber "95-75-0" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3" ;
dbo:iupacName "1,2-dichloro-4-methylbenzene"@en ;
dbo:pubchem "7256"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=WYUIWKFIFOJVKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClTol" ;
skos:prefLabel "3,4-dichloortolueen"@nl .
csc:LZZYPRNAOMGNLH-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5974 ;
dbo:casNumber "79631-76-8" , "69217-35-2" , "108779-80-2" , "12294-25-6" , "6899-10-1" , "57-09-0" , "104302-76-3" ;
dbo:formula "C19H42BrN" ;
dbo:inchi "InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "hexadecyl-trimethylazanium bromide"@en ;
dbo:pubchem "5974"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "InChIKey=LZZYPRNAOMGNLH-UHFFFAOYSA-M" ;
skos:altLabel "cetyltrimethylammoniumbromide"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CTAB" ;
skos:prefLabel "hexadecyltrimethylammonium"@nl .
csc:JOOMJVFZQRQWKR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26033 ;
dbo:casNumber "13457-18-6" ;
dbo:formula "C14H20N3O5PS" ;
dbo:inchi "InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate"@en ;
dbo:pubchem "26033"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C" ;
dbp:inchikey "InChIKey=JOOMJVFZQRQWKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_13457-18-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrazfs" ;
skos:prefLabel "pyrazofos"@nl ;
vcs:vmmParameterId "913"^^xsd:int .
csc:BGRDGMRNKXEXQD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21954 ;
dbo:casNumber "92335-53-0" , "5425-79-6" , "123-33-1" , "10071-13-3" , "48100-18-1" , "220787-04-2" , "66988-32-7" ;
dbo:formula "C4H4N2O2" ;
dbo:inchi "InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)" ;
dbo:iupacName "1,2-Dihydropyridazine-3,6-dione"@en ;
dbo:pubchem "21954"^^xsd:int ;
dbo:smiles "C1=CC(=O)NNC1=O" ;
dbp:inchikey "InChIKey=BGRDGMRNKXEXQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000208 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malinhdzde" ;
skos:prefLabel "maleinehydrazide"@nl .
csc:CHEMONTID_0004748
skos:narrower csc:NZNRRXXETLSZRO-UHFFFAOYSA-N , csc:WWJZWCUNLNYYAU-UHFFFAOYSA-N , csc:WGOWCPGHOCIHBW-UHFFFAOYSA-N , csc:OBZIQQJJIKNWNO-UHFFFAOYSA-N , csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N , csc:SCKHCCSZFPSHGR-UHFFFAOYSA-N , csc:LFVLUOAHQIVABZ-UHFFFAOYSA-N , csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N , csc:BSBSDQUZDZXGFN-UHFFFAOYSA-N , csc:KWGUFOITWDSNQY-UHFFFAOYSA-N , csc:JAZJVWLGNLCNDD-UHFFFAOYSA-N , csc:PNVJTZOFSHSLTO-UHFFFAOYSA-N , csc:DLAPIMGBBDILHJ-UHFFFAOYSA-N , csc:ZDHYERRNXRANLI-UHFFFAOYSA-N , csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N , csc:SBLPWPLKGFWLKK-UHFFFAOYSA-N , csc:JHJOOSLFWRRSGU-UHFFFAOYSA-N , csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N , csc:JISACBWYRJHSMG-UHFFFAOYSA-N , csc:XDNBJTQLKCIJBV-UHFFFAOYSA-N .
csc:JXMGZLBGSDLPKN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61627 ;
dbo:casNumber "13474-88-9" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-3(5,10)2(8,9)1(6)7/h1H" ;
dbo:iupacName "1,1-DICHLORO-1,2,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61627"^^xsd:int ;
dbo:smiles "C(C(C(F)(Cl)Cl)(F)F)(F)F" ;
dbp:inchikey "InChIKey=JXMGZLBGSDLPKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225cc" ;
skos:prefLabel "1,1-dichloor-1,2,2,3,3-pentafluorpropaan"@nl .
csc:UUAGAQFQZIEFAH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6594 ;
dbo:casNumber "58339-48-3" , "8045-75-8" , "56749-16-7" , "27837-89-4" , "105864-12-8" , "39360-67-3" , "58339-49-4" , "50935-29-0" , "52932-38-4" , "39403-94-6" , "57176-52-0" , "79-38-9" , "9002-83-9" , "52683-04-2" , "39475-51-9" , "52350-38-6" , "69494-42-4" , "58339-65-4" , "9036-80-0" , "58339-57-4" , "59889-02-0" , "84842-77-3" ;
dbo:formula "C2ClF3" ;
dbo:inchi "InChI=1S/C2ClF3/c3-1(4)2(5)6" ;
dbo:iupacName "1-chloro-1,2,2-trifluoroethene"@en ;
dbo:pubchem "6594"^^xsd:int ;
dbo:smiles "C(=C(F)Cl)(F)F" ;
dbp:inchikey "InChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK1113" ;
skos:prefLabel "1-chloor-1,2,2-trifluoretheen"@nl .
csc:NSMZCUAVEOTJDS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:79329 ;
dbo:casNumber "5367-28-2" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-2-methyl-1-nitrobenzene"@en ;
dbo:pubchem "79329"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=NSMZCUAVEOTJDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2NO2Tol" ;
skos:prefLabel "5-chloor-2-nitrotolueen"@nl .
csc:NBBJYMSMWIIQGU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:527 ;
dbo:casNumber "123-38-6" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3" ;
dbo:iupacName "propanal"@en ;
dbo:pubchem "527"^^xsd:int ;
dbo:smiles "CCC=O" ;
dbp:inchikey "InChIKey=NBBJYMSMWIIQGU-UHFFFAOYSA-N" ;
skos:altLabel "propionaldehyde"@nl , "propanal"@nl ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3al" ;
skos:prefLabel "propionaldehyde "@nl .
csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24824 ;
dbo:casNumber "10028-17-8" ;
dbo:formula "H2" ;
dbo:inchi "InChI=1S/H2/h1H/i1+2T" ;
dbo:iupacName "Tritium"@en ;
dbo:pubchem "24824"^^xsd:int ;
dbo:smiles "[HH]" ;
dbp:inchikey "InChIKey=UFHFLCQGNIYNRP-JMRXTUGHSA-N" ;
skos:broader csc:CHEMONTID_0000552 ;
skos:exactMatch wise:CAS_10028-17-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H3" ;
skos:prefLabel "tritium"@nl ;
vcs:vmmParameterId "452"^^xsd:int .
csc:VHRSUDSXCMQTMA-PJHHCJLFSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6741 ;
dbo:casNumber "121673-01-6" , "83-43-2" , "570-35-4" ;
dbo:formula "C22H30O5" ;
dbo:inchi "InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6741"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O" ;
dbp:inchikey "InChIKey=VHRSUDSXCMQTMA-PJHHCJLFSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ypnsln" ;
skos:prefLabel "methylprednisolon"@nl .
csc:XUDJZDNUVZHSKZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:75546 ;
dbo:casNumber "2442-49-1" ;
dbo:formula "C25H50O2" ;
dbo:inchi "InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3" ;
dbo:iupacName "Methyl tetracosanoate"@en ;
dbo:pubchem "75546"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=XUDJZDNUVZHSKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C24azrC1yEsr" ;
skos:prefLabel "tetracosaanzuur, methylester"@nl .
csc:CHEMONTID_0000211
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000211 ;
skos:definition "Organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RFJITKCIMOLCNP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000211" ;
skos:prefLabel "Indoles and derivatives"@en .
csc:KXRPCFINVWWFHQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91752 ;
dbo:casNumber "95465-99-9" , "103735-82-6" ;
dbo:formula "C10H23O2PS2" ;
dbo:inchi "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3" ;
dbo:iupacName "2-(butan-2-ylsulfanyl-ethoxyphosphoryl)sulfanylbutane"@en ;
dbo:pubchem "91752"^^xsd:int ;
dbo:smiles "CCC(C)SP(=O)(OCC)SC(C)CC" ;
dbp:inchikey "InChIKey=KXRPCFINVWWFHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cadsfs" ;
skos:prefLabel "cadusafos"@nl .
csc:VOVIALXJUBGFJZ-VXKMTNQYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40000 ;
dbo:casNumber "51333-22-3" , "51372-29-3" ;
dbo:formula "C25H34O6" ;
dbo:inchi "InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "40000"^^xsd:int ;
dbo:smiles "CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C" ;
dbp:inchikey "InChIKey=VOVIALXJUBGFJZ-VXKMTNQYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "budsnde" ;
skos:prefLabel "budesonide"@nl .
csc:CHEMONTID_0004812
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004812 ;
skos:definition "Aromatic polycyclic compounds containing an acenaphthylene moiety. Acenaphthylene is a carbotricyclic compound, consisting of a naphthalene with positions C1 and C8 connected by an ethylene bridge."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HXGDTGSAIMULJN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004812" ;
skos:prefLabel "Acenaphthylenes"@en .
csc:YQHLDYVWEZKEOX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6629 ;
dbo:casNumber "80-15-9" , "79568-78-8" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" ;
dbo:iupacName "2-hydroperoxypropan-2-ylbenzene"@en ;
dbo:pubchem "6629"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=CC=C1)OO" ;
dbp:inchikey "InChIKey=YQHLDYVWEZKEOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumHpO" ;
skos:prefLabel "cumeen hydroperoxide"@nl .
csc:SMFHPCZZAAMJJO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12008 ;
dbo:casNumber "68137-05-3" , "615-74-7" , "54548-50-4" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3" ;
dbo:iupacName "2-CHLORO-5-METHYLPHENOL"@en ;
dbo:pubchem "12008"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)O" ;
dbp:inchikey "InChIKey=SMFHPCZZAAMJJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yFol" ;
skos:prefLabel "2-chloor-5-methylfenol"@nl .
csc:NQPDXQQQCQDHHW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50248 ;
dbo:casNumber "68786-66-3" ;
dbo:formula "C14H9Cl3N2OS" ;
dbo:inchi "InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)" ;
dbo:iupacName "6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole"@en ;
dbo:pubchem "50248"^^xsd:int ;
dbo:smiles "CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=NQPDXQQQCQDHHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcbdzl" ;
skos:prefLabel "triclabendazool"@nl .
csc:PGBHMTALBVVCIT-VCIWKGPPSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8378 ;
dbo:casNumber "11025-81-3" , "119-04-0" , "1393-86-8" ;
dbo:formula "C23H46N6O13" ;
dbo:inchi "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1" ;
dbo:iupacName "(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol"@en ;
dbo:pubchem "8378"^^xsd:int ;
dbo:smiles "C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N" ;
dbp:inchikey "InChIKey=PGBHMTALBVVCIT-VCIWKGPPSA-N" ;
skos:broader csc:CHEMONTID_0003573 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "framctne" ;
skos:prefLabel "framycetine"@nl .
csc:UFHLMYOGRXOCSL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39681 ;
dbo:casNumber "50512-35-1" ;
dbo:formula "C12H18O4S2" ;
dbo:inchi "InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate"@en ;
dbo:pubchem "39681"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C" ;
dbp:inchikey "InChIKey=UFHLMYOGRXOCSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iptoln" ;
skos:prefLabel "isoprothiolan"@nl .
csc:LACXVZHAJMVESG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47651 ;
dbo:casNumber "65510-45-4" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "47651"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LACXVZHAJMVESG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB85" ;
skos:prefLabel "2,2',3,4,4'-pentachloorbifenyl"@nl .
csc:LTMQZVLXCLQPCT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68057 ;
dbo:casNumber "475-03-6" ;
dbo:formula "C13H18" ;
dbo:inchi "InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3" ;
dbo:iupacName "4,4,7-trimethyl-2,3-dihydro-1H-naphthalene"@en ;
dbo:pubchem "68057"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C(CCC2)(C)C" ;
dbp:inchikey "InChIKey=LTMQZVLXCLQPCT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4H116TC" ;
skos:prefLabel "1,2,3,4-tetrahydro-1,1,6-trimethylnafthaleen"@nl .
csc:CHEMONTID_0003017
skos:narrower csc:JNCSIWAONQTVCF-UHFFFAOYSA-N , csc:ANUCHZVCBDOPOX-UHFFFAOYSA-N .
csc:FIQMHBFVRAXMOP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13097 ;
dbo:casNumber "791-28-6" , "47027-44-1" ;
dbo:formula "C18H15OP" ;
dbo:inchi "InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "['hydroxy-tri(phenyl)phosphanium', 'di(phenyl)phosphorylbenzene']"@en ;
dbo:pubchem "13097"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=FIQMHBFVRAXMOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TPPO" ;
skos:prefLabel "trifenylfosfineoxide"@nl .
csc:JNMRHUJNCSQMMB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5340 ;
dbo:casNumber "158269-46-6" , "6052-33-1" , "72-14-0" ;
dbo:formula "C9H9N3O2S2" ;
dbo:inchi "InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)" ;
dbo:iupacName "4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5340"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2" ;
dbp:inchikey "InChIKey=JNMRHUJNCSQMMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfathiazole"@nl .
csc:QYIXCDOBOSTCEI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3240 ;
dbo:casNumber "80-97-7" , "17608-41-2" , "136173-96-1" ;
dbo:formula "C27H48O" ;
dbo:inchi "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "3240"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=QYIXCDOBOSTCEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHcEsrol" ;
skos:prefLabel "dihydrocholesterol"@nl .
csc:CUVLMZNMSPJDON-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24752 ;
dbo:casNumber "59029-72-0" , "12612-71-4" , "220522-64-5" , "29911-28-2" , "158884-53-8" , "39364-15-3" , "9003-13-8" , "71714-72-2" , "83931-37-7" , "36563-43-6" , "30941-36-7" , "102646-52-6" , "57904-07-1" , "9007-07-2" , "37335-69-6" , "9009-42-1" , "39364-14-2" ;
dbo:formula "C10H22O3" ;
dbo:inchi "InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3" ;
dbo:iupacName "1-(1-butoxypropan-2-yloxy)propan-2-ol"@en ;
dbo:pubchem "24752"^^xsd:int ;
dbo:smiles "CCCCOCC(C)OCC(C)O" ;
dbp:inchikey "InChIKey=CUVLMZNMSPJDON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4OxplC3yegc" ;
skos:prefLabel "butoxypolypropyleenglycol"@nl .
csc:AMVYOVYGIJXTQB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26576 ;
dbo:casNumber "14214-32-5" ;
dbo:formula "C16H18N2O3" ;
dbo:inchi "InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)" ;
dbo:iupacName "3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "26576"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC" ;
dbp:inchikey "InChIKey=AMVYOVYGIJXTQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfnxrn" ;
skos:prefLabel "difenoxuron"@nl .
csc:UXDDRFCJKNROTO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:66021 ;
dbo:casNumber "25395-31-7" , "102-62-5" , "29860-16-0" , "1300-63-6" , "101364-64-1" ;
dbo:formula "C7H12O5" ;
dbo:inchi "InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3" ;
dbo:iupacName "(1-acetyloxy-3-hydroxypropan-2-yl) acetate"@en ;
dbo:pubchem "66021"^^xsd:int ;
dbo:smiles "CC(=O)OCC(CO)OC(=O)C" ;
dbp:inchikey "InChIKey=UXDDRFCJKNROTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001644 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrDactt" ;
skos:prefLabel "glyceroldiacetaat"@nl .
csc:CHEMONTID_0004785
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004785 ;
skos:definition "Stilbenes that carry a sulfone group at one or more positions of either benzene rings."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UETHPMGVZHBAFB-OWOJBTEDSA-N , csc:REJHVSOVQBJEBF-OWOJBTEDSA-N ;
skos:notation "CHEMONTID:0004785" ;
skos:prefLabel "Sulfonated stilbenes"@en .
csc:RFJITKCIMOLCNP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:30001 ;
dbo:casNumber "20200-86-6" ;
dbo:formula "C11H13NO" ;
dbo:inchi "InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3" ;
dbo:iupacName "1,3,3-trimethylindol-2-one"@en ;
dbo:pubchem "30001"^^xsd:int ;
dbo:smiles "CC1(C2=CC=CC=C2N(C1=O)C)C" ;
dbp:inchikey "InChIKey=RFJITKCIMOLCNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "133TC1yoidl" ;
skos:prefLabel "1,3,3-trimethyloxindol"@nl .
csc:HRAQMGWTPNOILP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:90232 ;
dbo:casNumber "23676-09-7" ;
dbo:formula "C11H14O3" ;
dbo:inchi "InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "Ethyl 4-ethoxybenzoate"@en ;
dbo:pubchem "90232"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)C(=O)OCC" ;
dbp:inchikey "InChIKey=HRAQMGWTPNOILP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2oxC1ybenz" ;
skos:prefLabel "4-ethoxyethylbenzoezuur"@nl .
csc:LRUUNMYPIBZBQH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4690 ;
dbo:casNumber "20354-26-1" ;
dbo:formula "C9H6Cl2N2O3" ;
dbo:inchi "InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3" ;
dbo:iupacName "2-(3,4-Dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione"@en ;
dbo:pubchem "4690"^^xsd:int ;
dbo:smiles "CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=LRUUNMYPIBZBQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metzl" ;
skos:prefLabel "methazol"@nl .
csc:YAPQBXQYLJRXSA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5429 ;
dbo:casNumber "83-67-0" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)" ;
dbo:iupacName "3,7-dimethylpurine-2,6-dione"@en ;
dbo:pubchem "5429"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)NC(=O)N2C" ;
dbp:inchikey "InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "theobmne" ;
skos:prefLabel "theobromine"@nl .
csc:CHEMONTID_0000099
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000099 ;
skos:definition "Compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NSPMIYGKQJPBQR-UHFFFAOYSA-N , csc:KLSJWNVTNUYHDU-UHFFFAOYSA-N , csc:CNFMJLVJDNGPHR-UKTHLTGXSA-N ;
skos:notation "CHEMONTID:0000099" ;
skos:prefLabel "Triazoles"@en .
csc:KMXFZRSJMDYPPG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23494 ;
dbo:casNumber "7098-22-8" ;
dbo:formula "C44H90" ;
dbo:inchi "InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3" ;
dbo:iupacName "TETRATETRACONTANE"@en ;
dbo:pubchem "23494"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=KMXFZRSJMDYPPG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C44a" ;
skos:prefLabel "tetratetracontaan"@nl .
csc:CHEMONTID_0004706
skos:narrower csc:VLCQZHSMCYCDJL-UHFFFAOYSA-N , csc:VJYIFXVZLXQVHO-UHFFFAOYSA-N , csc:LOQQVLXUKHKNIA-UHFFFAOYSA-N , csc:IMEVJVISCHQJRM-UHFFFAOYSA-N .
csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D5, diverse art)"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3, diverse art) "@nl ;
rdfs:seeAlso compound:712 ;
dbo:casNumber "53026-80-5" , "8005-38-7" , "8013-13-6" , "50-00-0" , "12795-06-1" , "112068-71-0" , "8006-07-3" , "30525-89-4" ;
dbo:formula "CH2O" ;
dbo:inchi "InChI=1S/CH2O/c1-2/h1H2" ;
dbo:iupacName "FORMALDEHYDE"@en ;
dbo:pubchem "712"^^xsd:int ;
dbo:smiles "C=O" ;
dbp:inchikey "InChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_004 ;
skos:altLabel "paraformaldehyde"@nl , "formaldehyde"@nl ;
skos:broader csc:CHEMONTID_0001831 ;
skos:exactMatch wise:CAS_50-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parfAh" , "C1al" ;
skos:prefLabel "methanal (formaldehyde)"@nl ;
vcs:vmmParameterId "846"^^xsd:int .
csc:VHFVKMTVMIZMIK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1355 ;
dbo:casNumber "6640-24-0" ;
dbo:formula "C10H13ClN2" ;
dbo:inchi "InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2" ;
dbo:iupacName "1-(3-Chlorophenyl)piperazine"@en ;
dbo:pubchem "1355"^^xsd:int ;
dbo:smiles "C1CN(CCN1)C2=CC(=CC=C2)Cl" ;
dbp:inchikey "InChIKey=VHFVKMTVMIZMIK-UHFFFAOYSA-N" ;
skos:altLabel "1-(3-Chloorfenyl)piperazine"@nl ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13ClFypprzne" ;
skos:prefLabel "1-(3-chloorfenyl)piperazine"@nl .
csc:HOLGXWDGCVTMTB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15075 ;
dbo:casNumber "1454-80-4" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2" ;
dbo:iupacName "2-(2-aminophenyl)aniline"@en ;
dbo:pubchem "15075"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC=CC=C2N)N" ;
dbp:inchikey "InChIKey=HOLGXWDGCVTMTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "obenzdne" ;
skos:prefLabel "o-benzidine"@nl .
csc:CHEMONTID_0004223
skos:narrower csc:MMOXZBCLCQITDF-UHFFFAOYSA-N .
csc:RAHZWNYVWXNFOC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1119 ;
dbo:casNumber "83008-56-4" , "7446-09-5" , "89125-89-3" , "12396-99-5" , "12624-32-7" , "8014-94-6" ;
dbo:formula "O2S" ;
dbo:inchi "InChI=1S/O2S/c1-3-2" ;
dbo:iupacName "Sulfur dioxide"@en ;
dbo:pubchem "1119"^^xsd:int ;
dbo:smiles "O=S=O" ;
dbp:inchikey "InChIKey=RAHZWNYVWXNFOC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_III_E , co:LUC_III_008 ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SO2" ;
skos:prefLabel "zwaveldioxide"@nl .
csc:NBBZMDUHKWRYSZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19526 ;
dbo:casNumber "3735-92-0" ;
dbo:formula "C4H9NS2" ;
dbo:inchi "InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3" ;
dbo:iupacName "methyl dimethylaminomethanedithioate"@en ;
dbo:pubchem "19526"^^xsd:int ;
dbo:smiles "CN(C)C(=S)SC" ;
dbp:inchikey "InChIKey=NBBZMDUHKWRYSZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003936 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDC1yDtocb" ;
skos:prefLabel "methyl dimethyldithiocarbamaat"@nl .
csc:NZUPQBVDIWCPBX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:42139 ;
dbo:casNumber "57117-42-7" , "57117-43-8" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-7(18-12(4)10(5)16)3-6(14)9(15)11(8)17/h1-3H" ;
dbo:iupacName "1,2,3,6,7-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42139"^^xsd:int ;
dbo:smiles "C1=CC(=C(C2=C1C3=C(C(=C(C=C3O2)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=NZUPQBVDIWCPBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF112" ;
skos:prefLabel "2,3,4,6,7-pentachloordibenzofuraan"@nl .
csc:CHEMONTID_0002389
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002389 ;
skos:definition "Organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002389" ;
skos:prefLabel "Diazinanes"@en .
csc:VQMWBBYLQSCNPO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23944 ;
dbo:casNumber "22541-16-8" , "7440-12-2" ;
dbo:formula "Pm" ;
dbo:inchi "InChI=1S/Pm" ;
dbo:iupacName "PROMETHIUM"@en ;
dbo:pubchem "23944"^^xsd:int ;
dbo:smiles "[Pm]" ;
dbp:inchikey "InChIKey=VQMWBBYLQSCNPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pm" ;
skos:prefLabel "promethium"@nl .
csc:BGRJTUBHPOOWDU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355 ;
dbo:casNumber "23672-07-3" , "15676-16-1" ;
dbo:formula "C15H23N3O4S" ;
dbo:inchi "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)" ;
dbo:iupacName "N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide"@en ;
dbo:pubchem "5355"^^xsd:int ;
dbo:smiles "CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC" ;
dbp:inchikey "InChIKey=BGRJTUBHPOOWDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulprde" ;
skos:prefLabel "sulpiride"@nl .
csc:CHEMONTID_0000163
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000163 ;
skos:definition "Cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JBKVHLHDHHXQEQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000163" ;
skos:prefLabel "Caprolactams"@en .
csc:UPMXNNIRAGDFEH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15531 ;
dbo:casNumber "1689-84-5" ;
dbo:formula "C7H3Br2NO" ;
dbo:inchi "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "3,5-Dibromo-4-hydroxybenzonitrile"@en ;
dbo:pubchem "15531"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)O)Br)C#N" ;
dbp:inchikey "InChIKey=UPMXNNIRAGDFEH-UHFFFAOYSA-N" ;
skos:altLabel "bromoxynil"@nl ;
skos:broader csc:CHEMONTID_0001530 ;
skos:exactMatch wise:CAS_1689-84-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrOxnl" ;
skos:prefLabel "broomoxynil"@nl ;
vcs:vmmParameterId "457"^^xsd:int .
csc:OSGAYBCDTDRGGQ-UHFFFAOYSA-L
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24497 ;
dbo:casNumber "23296-15-3" , "151621-69-1" , "326855-67-8" , "146522-67-0" , "99400-01-8" , "7778-18-9" ;
dbo:formula "CaO4S" ;
dbo:inchi "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "CALCIUM SULFATE"@en ;
dbo:pubchem "24497"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Ca+2]" ;
dbp:inchikey "InChIKey=OSGAYBCDTDRGGQ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaSO4" ;
skos:prefLabel "calciumsulfaat"@nl .
csc:GOOHAUXETOMSMM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6378 ;
dbo:casNumber "75-56-9" , "16033-71-9" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3" ;
dbo:iupacName "2-methyloxirane"@en ;
dbo:pubchem "6378"^^xsd:int ;
dbo:smiles "CC1CO1" ;
dbp:inchikey "InChIKey=GOOHAUXETOMSMM-UHFFFAOYSA-N" ;
skos:altLabel "propyleenoxide"@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yeO" ;
skos:prefLabel "1,2-epoxypropaan"@nl .
csc:ZKGSEEWIVLAUNH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63102 ;
dbo:casNumber "74338-24-2" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-4-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "63102"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZKGSEEWIVLAUNH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB55" ;
skos:prefLabel "2,3,3',4-tetrachloorbifenyl"@nl .
csc:OYHQOLUKZRVURQ-HZJYTTRNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280450 ;
dbo:casNumber "506-21-8" , "8024-22-4" , "2197-37-7" , "60-33-3" , "80969-37-5" , "17966-12-0" ;
dbo:formula "C18H32O2" ;
dbo:inchi "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" ;
dbo:iupacName "(9Z,12Z)-octadeca-9,12-dienoic acid"@en ;
dbo:pubchem "5280450"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=OYHQOLUKZRVURQ-HZJYTTRNSA-N" ;
skos:altLabel "linolzuur"@nl ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t912C18aDzr" , "linzr" ;
skos:prefLabel "trans-9,12-octadecadieenzuur"@nl .
csc:CHEMONTID_0000078
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000078 ;
skos:definition "Compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000078" ;
skos:prefLabel "Imidazoles"@en .
csc:GISVICWQYMUPJF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61814 ;
dbo:casNumber "15764-16-6" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3" ;
dbo:iupacName "2,4-Dimethylbenzaldehyde"@en ;
dbo:pubchem "61814"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C=O)C" ;
dbp:inchikey "InChIKey=GISVICWQYMUPJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yBenAh" ;
skos:prefLabel "2,4-dimethylbenzaldehyde"@nl .
csc:ZCWXYZBQDNFULS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74218 ;
dbo:casNumber "1635-61-6" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2" ;
dbo:iupacName "5-Chloro-2-nitroaniline"@en ;
dbo:pubchem "74218"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ZCWXYZBQDNFULS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2NO2An" ;
skos:prefLabel "5-chloor-2-nitroaniline"@nl .
csc:TZRXHJWUDPFEEY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6518 ;
dbo:casNumber "103842-90-6" , "53025-84-6" , "108736-71-6" , "78-11-5" ;
dbo:formula "C5H8N4O12" ;
dbo:inchi "InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2" ;
dbo:iupacName "[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate"@en ;
dbo:pubchem "6518"^^xsd:int ;
dbo:smiles "C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=TZRXHJWUDPFEEY-UHFFFAOYSA-N" ;
skos:altLabel "pentaerythritoltetranitraat (PETN)"@nl ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeerttT4NO3" ;
skos:prefLabel "pentaerythritoltetranitraat (petn)"@nl .
csc:ACTOXUHEUCPTEW-KWBWCIJSSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6440717 ;
dbo:casNumber "13441-34-4" , "50762-61-3" , "13430-00-7" , "67262-35-5" , "24916-50-5" , "1403-57-2" , "1405-25-0" , "2517-38-6" ;
dbo:formula "C43H74N2O14" ;
dbo:inchi "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1" ;
dbo:iupacName "2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "6440717"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "InChIKey=ACTOXUHEUCPTEW-KWBWCIJSSA-N" ;
skos:altLabel "spiramycine I"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcI" ;
skos:prefLabel "spiramycine i"@nl .
csc:GMAUQNJOSOMMHI-JXAWBTAJSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9576091 ;
dbo:casNumber "83130-01-2" ;
dbo:formula "C17H25N3O4S2" ;
dbo:inchi "InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-" ;
dbo:iupacName "ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phenylmethyl)amino]propanoate"@en ;
dbo:pubchem "9576091"^^xsd:int ;
dbo:smiles "CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC" ;
dbp:inchikey "InChIKey=GMAUQNJOSOMMHI-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alncb" ;
skos:prefLabel "alanycarb"@nl .
csc:CHEMONTID_0004196
skos:narrower csc:JTEDVYBZBROSJT-UHFFFAOYSA-N .
csc:CETPSERCERDGAM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:73963 ;
dbo:casNumber "385781-69-1" , "1306-38-3" ;
dbo:formula "CeO2" ;
dbo:inchi "InChI=1S/Ce.2O" ;
dbo:iupacName "dioxocerium"@en ;
dbo:pubchem "73963"^^xsd:int ;
dbo:smiles "O=[Ce]=O" ;
dbp:inchikey "InChIKey=CETPSERCERDGAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CeO2" ;
skos:prefLabel "ceriumoxide"@nl .
csc:DFWFIQKMSFGDCQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22563 ;
dbo:casNumber "6190-65-4" ;
dbo:formula "C6H10ClN5" ;
dbo:inchi "InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)" ;
dbo:iupacName "6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "22563"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "InChIKey=DFWFIQKMSFGDCQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_6190-65-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2yatzne" ;
skos:prefLabel "desethylatrazine"@nl ;
vcs:vmmParameterId "271"^^xsd:int .
csc:CSHWQDPOILHKBI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9142 ;
dbo:casNumber "198-55-0" , "77392-71-3" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H" ;
dbo:iupacName "Perylene"@en ;
dbo:pubchem "9142"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2" ;
dbp:inchikey "InChIKey=CSHWQDPOILHKBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_198-55-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pe" ;
skos:prefLabel "peryleen"@nl ;
vcs:vmmParameterId "797"^^xsd:int .
csc:CHEMONTID_0003601
skos:narrower csc:VILFVXYKHXVYAB-UHFFFAOYSA-N , csc:KVBGVZZKJNLNJU-UHFFFAOYSA-N , csc:INMHJULHWVWVFN-UHFFFAOYSA-N , csc:HEWDOWUUTBCVJP-UHFFFAOYSA-N , csc:FITZJYAVATZPMJ-UHFFFAOYSA-N .
csc:NYRMIJKDBAQCHC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91755 ;
dbo:casNumber "96525-23-4" ;
dbo:formula "C18H14F3NO2" ;
dbo:inchi "InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3" ;
dbo:iupacName "5-methylamino-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one"@en ;
dbo:pubchem "91755"^^xsd:int ;
dbo:smiles "CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F" ;
dbp:inchikey "InChIKey=NYRMIJKDBAQCHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flrtmn" ;
skos:prefLabel "flurtamon"@nl .
csc:CHEMONTID_0004117
skos:narrower csc:LVDKZNITIUWNER-UHFFFAOYSA-N , csc:FGLBSLMDCBOPQK-UHFFFAOYSA-N .
csc:YTZKOQUCBOVLHL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7366 ;
dbo:casNumber "98-06-6" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" ;
dbo:iupacName "tert-Butylbenzene"@en ;
dbo:pubchem "7366"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=YTZKOQUCBOVLHL-UHFFFAOYSA-N" ;
skos:altLabel "tert-butylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_98-06-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yBen" ;
skos:prefLabel "tertiair-butylbenzeen"@nl ;
vcs:vmmParameterId "547"^^xsd:int .
csc:LHTCFGRXHNJRBP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:94600 ;
dbo:casNumber "82376-08-7" , "61827-42-7" ;
dbo:formula "C12H26O2" ;
dbo:inchi "InChI=1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3" ;
dbo:iupacName "2-(8-methylnonoxy)ethanol"@en ;
dbo:pubchem "94600"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCOCCO" ;
dbp:inchikey "InChIKey=LHTCFGRXHNJRBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "geetxldiC10y" ;
skos:prefLabel "geëthoxyleerde isodecylalcohol"@nl .
csc:VVAQOYUUECXZAZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26713 ;
dbo:casNumber "14488-53-0" ;
dbo:formula "C8H18Sn" ;
dbo:inchi "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2" ;
dbo:iupacName "butane; tin(+2) cation"@en ;
dbo:pubchem "26713"^^xsd:int ;
dbo:smiles "CCC[CH2-].CCC[CH2-].[Sn+2]" ;
dbp:inchikey "InChIKey=VVAQOYUUECXZAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003865 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4ySn" ;
skos:prefLabel "dibutyltin (kation)"@nl .
csc:PXHVJJICTQNCMI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR bijl. 2.5.8.1 'Nikkel'"@nl , "VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'"@nl , "VLAR III (D3) 'Nikkel'"@nl , "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'"@nl , "VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'"@nl , "VLAR III (D3, diverse art) 'Ni'"@nl , "VLAR II (D2/D5) 'nikkel'"@nl , "VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'"@nl ;
rdfs:seeAlso compound:935 ;
dbo:casNumber "195161-84-3" , "39303-46-3" , "53527-81-4" , "68412-20-4" , "7440-02-0" , "8049-31-8" , "21595-53-9" , "112084-17-0" , "17375-04-1" , "14903-34-5" ;
dbo:formula "Ni" ;
dbo:inchi "InChI=1S/Ni" ;
dbo:iupacName "Nickel"@en ;
dbo:pubchem "935"^^xsd:int ;
dbo:smiles "[Ni]" ;
dbp:inchikey "InChIKey=PXHVJJICTQNCMI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "nikkel (ni)"@nl , "nikkel"@nl , "Nikkel (Ni)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)"@nl ;
skos:exactMatch wise:CAS_7440-02-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ni" ;
skos:prefLabel "nikkel, opgelost"@nl ;
vcs:vmmParameterId "1953"^^xsd:int , "178"^^xsd:int , "179"^^xsd:int , "180"^^xsd:int .
csc:DZUPKTNAUCDVTL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:35736 ;
dbo:casNumber "31120-85-1" ;
dbo:formula "C15H24NO5P" ;
dbo:inchi "InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18)" ;
dbo:iupacName "propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate"@en ;
dbo:pubchem "35736"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "InChIKey=DZUPKTNAUCDVTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iffOon" ;
skos:prefLabel "isofenfos-oxon"@nl .
csc:BCQMBFHBDZVHKU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36584 ;
dbo:casNumber "33693-04-8" ;
dbo:formula "C10H19N5O" ;
dbo:inchi "InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "36584"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)OC)NC(C)(C)C" ;
dbp:inchikey "InChIKey=BCQMBFHBDZVHKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbmtn" ;
skos:prefLabel "terbumeton"@nl .
csc:NEVMZYLKPFGDJB-OWOJBTEDSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6433355 ;
dbo:casNumber "2971-38-2" ;
dbo:formula "C12H11Cl3O3" ;
dbo:inchi "InChI=1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2/b2-1+" ;
dbo:iupacName "[(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "6433355"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl" ;
dbp:inchikey "InChIKey=NEVMZYLKPFGDJB-OWOJBTEDSA-N" ;
skos:altLabel "2,4-d chloorcrotyl-ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClctEsr" ;
skos:prefLabel "2,4-D chloorcrotyl-ester"@nl .
csc:QLFZZSKTJWDQOS-NJPOTTGESA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436133 ;
dbo:casNumber "117704-25-3" ;
dbo:formula "C50H74O14" ;
dbo:inchi "InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44?,45-,46?,47+,49+,50+/m0/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6436133"^^xsd:int ;
dbo:smiles "CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O" ;
dbp:inchikey "InChIKey=QLFZZSKTJWDQOS-NJPOTTGESA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dormtne" ;
skos:prefLabel "doramectine"@nl .
csc:VYZAHLCBVHPDDF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6 ;
dbo:casNumber "97-00-7" ;
dbo:formula "C6H3ClN2O4" ;
dbo:inchi "InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H" ;
dbo:iupacName "1-chloro-2,4-dinitrobenzene"@en ;
dbo:pubchem "6"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=VYZAHLCBVHPDDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_97-00-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl24DNO2Ben" ;
skos:prefLabel "1-chloor-2,4-dinitrobenzeen"@nl ;
vcs:vmmParameterId "330"^^xsd:int .
csc:HEZNVIYQEUHLNI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34766 ;
dbo:casNumber "29973-13-5" , "56730-58-6" , "56729-20-5" ;
dbo:formula "C11H15NO2S" ;
dbo:inchi "InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "34766"^^xsd:int ;
dbo:smiles "CCSCC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=HEZNVIYQEUHLNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcb" ;
skos:prefLabel "ethiofencarb"@nl .
csc:YUIKUTLBPMDDNQ-MRVPVSSYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5483847 ;
dbo:casNumber "114420-56-3" ;
dbo:formula "C14H11ClFNO4" ;
dbo:inchi "InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1" ;
dbo:iupacName "(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "5483847"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F" ;
dbp:inchikey "InChIKey=YUIKUTLBPMDDNQ-MRVPVSSYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clodnfp" ;
skos:prefLabel "clodinafop"@nl .
csc:SRONXYPFSAKOGH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67525 ;
dbo:casNumber "295-48-7" ;
dbo:formula "C15H30" ;
dbo:inchi "InChI=1S/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2" ;
dbo:iupacName "Cyclopentadecane"@en ;
dbo:pubchem "67525"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCCCCC1" ;
dbp:inchikey "InChIKey=SRONXYPFSAKOGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC15a" ;
skos:prefLabel "cyclopentadecaan"@nl .
csc:CHEMONTID_0001205
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001205 ;
skos:definition "Compounds containing a carboxylic acid group with the formula -C(=O)OH."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N , csc:CERQOIWHTDAKMF-UHFFFAOYSA-N , csc:QXFUBAAEKCHBQY-UHFFFAOYSA-N , csc:KQNPFQTWMSNSAP-UHFFFAOYSA-N , csc:BDAGIHXWWSANSR-UHFFFAOYSA-N , csc:RMIODHQZRUFFFF-UHFFFAOYSA-N , csc:YLJLLELGHSWIDU-UHFFFAOYSA-N , csc:QTBSBXVTEAMEQO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001205" ;
skos:prefLabel "Carboxylic acids"@en .
csc:HGBOYTHUEUWSSQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8063 ;
dbo:casNumber "110-62-3" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3" ;
dbo:iupacName "Pentanal"@en ;
dbo:pubchem "8063"^^xsd:int ;
dbo:smiles "CCCCC=O" ;
dbp:inchikey "InChIKey=HGBOYTHUEUWSSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5al" ;
skos:prefLabel "pentanal (n-valeraldehyde)"@nl .
csc:IEMMBWWQXVXBEU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14505 ;
dbo:casNumber "1192-62-7" , "80145-44-4" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3" ;
dbo:iupacName "1-furan-2-ylethanone"@en ;
dbo:pubchem "14505"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CO1" ;
dbp:inchikey "InChIKey=IEMMBWWQXVXBEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2actfrn" ;
skos:prefLabel "2-acetylfuran"@nl .
csc:CHEMONTID_0001831
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001831 ;
skos:definition "Organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N , csc:IVJISJACKSSFGE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001831" ;
skos:prefLabel "Carbonyl compounds"@en .
csc:YKFKEYKJGVSEIX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7392 ;
dbo:casNumber "98-53-3" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3" ;
dbo:iupacName "4-tert-butylcyclohexan-1-one"@en ;
dbo:pubchem "7392"^^xsd:int ;
dbo:smiles "CC(C)(C)C1CCC(=O)CC1" ;
dbp:inchikey "InChIKey=YKFKEYKJGVSEIX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yccC6on" ;
skos:prefLabel "4-tert-butylcyclohexanon"@nl .
csc:ODPOAESBSUKMHD-UHFFFAOYSA-L
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6794 ;
dbo:casNumber "85-00-7" , "66630-68-0" , "34417-68-0" ;
dbo:formula "C12H12Br2N2" ;
dbo:inchi "InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide"@en ;
dbo:pubchem "6794"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]" ;
dbp:inchikey "InChIKey=ODPOAESBSUKMHD-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DqBr" ;
skos:prefLabel "diquatdibromide"@nl .
csc:BKIMMITUMNQMOS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8141 ;
dbo:casNumber "61193-19-9" , "111-84-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3" ;
dbo:iupacName "Nonane"@en ;
dbo:pubchem "8141"^^xsd:int ;
dbo:smiles "CCCCCCCCC" ;
dbp:inchikey "InChIKey=BKIMMITUMNQMOS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_006 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "nonaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9a" ;
skos:prefLabel "n-nonaan"@nl .
csc:GBNHEBQXJVDXSW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11859 ;
dbo:casNumber "609-19-8" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H" ;
dbo:iupacName "3,4,5-Trichlorophenol"@en ;
dbo:pubchem "11859"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)O" ;
dbp:inchikey "InChIKey=GBNHEBQXJVDXSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_609-19-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TClFol" ;
skos:prefLabel "3,4,5-trichloorfenol"@nl ;
vcs:vmmParameterId "354"^^xsd:int .
csc:UCLKLGIYGBLTSM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40234 ;
dbo:casNumber "52112-04-6" , "52712-04-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40234"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UCLKLGIYGBLTSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB141" ;
skos:prefLabel "2,2',3,4,5,5'-hexachloorbifenyl"@nl .
csc:CHEMONTID_0002490
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002490 ;
skos:definition "Azole derivatives obtained by conversion of one double bond of the azole ring to a single bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002490" ;
skos:prefLabel "Azolines"@en .
csc:CZRWOPRGDPUSDE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:295655 ;
dbo:casNumber "17790-81-7" ;
dbo:formula "C5H7BrO3" ;
dbo:inchi "InChI=1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3" ;
dbo:iupacName "Methyl 4-bromo-3-oxobutanoate"@en ;
dbo:pubchem "295655"^^xsd:int ;
dbo:smiles "COC(=O)CC(=O)CBr" ;
dbp:inchikey "InChIKey=CZRWOPRGDPUSDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001114 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y4Bractact" ;
skos:prefLabel "methyl-4-broomacetoacetaat"@nl .
csc:CHEMONTID_0000036
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000036 ;
skos:definition "Compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LKPLKUMXSAEKID-UHFFFAOYSA-N , csc:JBXZCPXEYAEMJS-UHFFFAOYSA-N , csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N , csc:WYMSBXTXOHUIGT-UHFFFAOYSA-N , csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N , csc:BAFQDKPJKOLXFZ-UHFFFAOYSA-N , csc:FYFDQJRXFWGIBS-UHFFFAOYSA-N , csc:XCSNRORTQRKCHB-UHFFFAOYSA-N , csc:NTBYINQTYWZXLH-UHFFFAOYSA-N , csc:BGDCQZFFNFXYQC-UHFFFAOYSA-N , csc:WIIZWVCIJKGZOK-UHFFFAOYSA-N , csc:YADOEPHJIBKBCN-UHFFFAOYSA-N , csc:XXYMSQQCBUKFHE-UHFFFAOYSA-N , csc:RUKISNQKOIKZGT-UHFFFAOYSA-N , csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N , csc:DFZSBQYOXAUYCB-UHFFFAOYSA-N , csc:HDWLUGYOLUHEMN-UHFFFAOYSA-N , csc:KZBOXYKTSUUBTO-UHFFFAOYSA-N , csc:NSMZCUAVEOTJDS-UHFFFAOYSA-N , csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N , csc:VTQWKUZUPOTXEH-UHFFFAOYSA-N , csc:LLYXJBROWQDVMI-UHFFFAOYSA-N , csc:DSBIJCMXAIKKKI-UHFFFAOYSA-N , csc:KWIXNFOTNVKIGM-UHFFFAOYSA-N , csc:IZEZAMILKKYOPW-UHFFFAOYSA-N , csc:XJCVRTZCHMZPBD-UHFFFAOYSA-N , csc:VOTXWUCYIOPNNR-UHFFFAOYSA-N , csc:FOHHWGVAOVDVLP-UHFFFAOYSA-N , csc:VYZAHLCBVHPDDF-UHFFFAOYSA-N , csc:AGUIVNYEYSCPNI-UHFFFAOYSA-N , csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N , csc:QJAIOCKFIORVFU-UHFFFAOYSA-N , csc:QUIMTLZDMCNYGY-UHFFFAOYSA-N , csc:MTBYTWZDRVOMBR-UHFFFAOYSA-N , csc:QZYHIOPPLUPUJF-UHFFFAOYSA-N , csc:IZUKQUVSCNEFMJ-UHFFFAOYSA-N , csc:DPJCXCZTLWNFOH-UHFFFAOYSA-N , csc:RZKKOBGFCAHLCZ-UHFFFAOYSA-N , csc:LOCWBQIWHWIRGN-UHFFFAOYSA-N , csc:XMWRWTSZNLOZFN-UHFFFAOYSA-N , csc:ZCWXYZBQDNFULS-UHFFFAOYSA-N , csc:VITSNECNFNNVQB-UHFFFAOYSA-N , csc:NWESJZZPAJGHRZ-UHFFFAOYSA-N , csc:WDCYWAQPCXBPJA-UHFFFAOYSA-N , csc:TYMLOMAKGOJONV-UHFFFAOYSA-N , csc:XQTLDIFVVHJORV-UHFFFAOYSA-N , csc:BFCFYVKQTRLZHA-UHFFFAOYSA-N , csc:RNABGKOKSBUFHW-UHFFFAOYSA-N , csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N , csc:SPOWAUDUGZVURQ-UHFFFAOYSA-N , csc:ZPTVNYMJQHSSEA-UHFFFAOYSA-N , csc:DLURHXYXQYMPLT-UHFFFAOYSA-N , csc:UATJOMSPNYCXIX-UHFFFAOYSA-N , csc:CBCIHIVRDWLAME-UHFFFAOYSA-N , csc:SPSSULHKWOKEEL-UHFFFAOYSA-N , csc:KGSQRFPDZCBVBS-UHFFFAOYSA-N , csc:FSGTULQLEVAYRS-UHFFFAOYSA-N , csc:LQNUZADURLCDLV-UHFFFAOYSA-N , csc:GDIIPKWHAQGCJF-UHFFFAOYSA-N , csc:PLAZTCDQAHEYBI-UHFFFAOYSA-N , csc:HFCFJYRLBAANKN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000036" ;
skos:prefLabel "Nitrobenzenes"@en .
csc:IKTHMQYJOWTSJO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61585 ;
dbo:casNumber "88401-65-4" , "13171-00-1" ;
dbo:formula "C17H24O" ;
dbo:inchi "InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3" ;
dbo:iupacName "1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone"@en ;
dbo:pubchem "61585"^^xsd:int ;
dbo:smiles "CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C" ;
dbp:inchikey "InChIKey=IKTHMQYJOWTSJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ADBI" ;
skos:prefLabel "celestolide"@nl .
csc:CHEMONTID_0004637
skos:narrower csc:NPWMZOGDXOFZIN-UHFFFAOYSA-N .
csc:CHEMONTID_0002411
skos:narrower csc:QLHULAHOXSSASE-UHFFFAOYSA-N .
csc:CQEYYJKEWSMYFG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8846 ;
dbo:casNumber "86090-89-3" , "141-32-2" , "220713-31-5" , "164251-78-9" , "56257-66-0" , "81989-46-0" , "62362-39-4" , "9003-49-0" , "71343-67-4" , "126492-54-4" , "112790-39-3" ;
dbo:formula "C7H12O2" ;
dbo:inchi "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" ;
dbo:iupacName "butyl prop-2-enoate"@en ;
dbo:pubchem "8846"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C=C" ;
dbp:inchikey "InChIKey=CQEYYJKEWSMYFG-UHFFFAOYSA-N" ;
skos:altLabel "n-butylacrylaat"@nl ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yaclt" ;
skos:prefLabel "butylacrylaat"@nl .
csc:XMBWDFGMSWQBCA-YPZZEJLDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104800 ;
dbo:casNumber "14158-31-7" ;
dbo:formula "HI" ;
dbo:inchi "InChI=1S/HI/h1H/i1-2" ;
dbo:iupacName "Iodane-125"@en ;
dbo:pubchem "104800"^^xsd:int ;
dbo:smiles "I" ;
dbp:inchikey "InChIKey=XMBWDFGMSWQBCA-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I125" ;
skos:prefLabel "jodium 125"@nl .
csc:YQEMORVAKMFKLG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:79075 ;
dbo:casNumber "621-61-4" ;
dbo:formula "C21H42O4" ;
dbo:inchi "InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3" ;
dbo:iupacName "1,3-dihydroxypropan-2-yl octadecanoate"@en ;
dbo:pubchem "79075"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO" ;
dbp:inchikey "InChIKey=YQEMORVAKMFKLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001603 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DHOxC3a2yC" ;
skos:prefLabel "1,3-dihydroxypropaan-2-yl-octadecanoaat"@nl .
csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl ;
rdfs:seeAlso compound:7929 ;
dbo:casNumber "68908-87-2" , "1330-20-7" , "108-38-3" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3" ;
dbo:iupacName "1,3-Dimethylbenzene"@en ;
dbo:pubchem "7929"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C" ;
dbp:inchikey "InChIKey=IVSZLXZYQVIEFR-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:altLabel "xylenen"@nl , "1,3-xyleen"@nl , "xylenen (o+m+p)"@nl , "m-xyleen"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:exactMatch wise:CAS_108-38-3 , wise:CAS_1330-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13xyln" ;
skos:prefLabel "meta-xyleen"@nl ;
vcs:vmmParameterId "526"^^xsd:int , "215"^^xsd:int .
csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6734 ;
dbo:casNumber "83-32-9" ;
dbo:formula "C12H10" ;
dbo:inchi "InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2" ;
dbo:iupacName "Acenaphthene"@en ;
dbo:pubchem "6734"^^xsd:int ;
dbo:smiles "C1CC2=CC=CC3=C2C1=CC=C3" ;
dbp:inchikey "InChIKey=CWRYPZZKDGJXCA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_83-32-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AcNe" ;
skos:prefLabel "acenafteen"@nl ;
vcs:vmmParameterId "1419"^^xsd:int , "418"^^xsd:int .
csc:GCKZANITAMOIAR-XWVCPFKXSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11650986 ;
dbo:casNumber "155569-91-8" ;
dbo:formula "C56H81NO15" ;
dbo:inchi "InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1" ;
dbo:iupacName "benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "11650986"^^xsd:int ;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)O" ;
dbp:inchikey "InChIKey=GCKZANITAMOIAR-XWVCPFKXSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emmtbzat" ;
skos:prefLabel "emamectin-benzoaat"@nl .
csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4946 ;
dbo:casNumber "525-66-6" , "13013-17-7" ;
dbo:formula "C16H21NO2" ;
dbo:inchi "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3" ;
dbo:iupacName "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4946"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O" ;
dbp:inchikey "InChIKey=AQHHHDLHHXJYJD-UHFFFAOYSA-N" ;
skos:altLabel "propranolol"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_525-66-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnll" ;
skos:prefLabel "propanolol"@nl ;
vcs:vmmParameterId "1407"^^xsd:int .
csc:JBIROUFYLSSYDX-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8753 ;
dbo:casNumber "67377-59-7" , "8038-88-8" , "78565-22-7" , "51796-11-3" , "10328-35-5" , "139-07-1" , "95078-12-9" , "107397-84-2" ;
dbo:formula "C21H38ClN" ;
dbo:inchi "InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-dimethylazanium chloride"@en ;
dbo:pubchem "8753"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=JBIROUFYLSSYDX-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDBAC" ;
skos:prefLabel "dodecyldimethylbenzylammoniumchloride"@nl .
csc:MLGCXEBRWGEOQX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8305 ;
dbo:casNumber "116-29-0" ;
dbo:formula "C12H6Cl4O2S" ;
dbo:inchi "InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene"@en ;
dbo:pubchem "8305"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MLGCXEBRWGEOQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Dfn" ;
skos:prefLabel "tetradifon"@nl .
csc:FUZZWVXGSFPDMH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8892 ;
dbo:casNumber "68603-84-9" , "13476-79-4" , "67762-36-1" , "53896-26-7" , "16571-42-9" , "19455-00-6" , "8040-17-3" , "142-62-1" , "70248-25-8" , "51109-46-7" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)" ;
dbo:iupacName "Hexanoic acid"@en ;
dbo:pubchem "8892"^^xsd:int ;
dbo:smiles "CCCCCC(=O)O" ;
dbp:inchikey "InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6azr" ;
skos:prefLabel "hexaanzuur"@nl .
csc:TUGYIJVAYAHHHM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9106 ;
dbo:casNumber "189-55-9" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene"@en ;
dbo:pubchem "9106"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3" ;
dbp:inchikey "InChIKey=TUGYIJVAYAHHHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBalP" ;
skos:prefLabel "dibenzo(a,l)pyreen"@nl .
csc:HBJOXQRURQPDEX-MHXMMLMNSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:157385 ;
dbo:casNumber "79548-73-5" ;
dbo:formula "C17H31ClN2O5S" ;
dbo:inchi "InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1" ;
dbo:iupacName "(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide"@en ;
dbo:pubchem "157385"^^xsd:int ;
dbo:smiles "CCC1CCNC(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl" ;
dbp:inchikey "InChIKey=HBJOXQRURQPDEX-MHXMMLMNSA-N" ;
skos:broader csc:CHEMONTID_0002309 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pirlimycine"@nl .
csc:CHEMONTID_0000015
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000015 ;
skos:definition "Compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TXCDCPKCNAJMEE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000015" ;
skos:prefLabel "Dibenzofurans"@en .
csc:CHEMONTID_0002867
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002867 ;
skos:definition "Organic compounds containing a linear aliphatic chain (or ring system) carrying a C-X bond, where X is a halogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002867" ;
skos:prefLabel "Alkyl halides"@en .
csc:CHEMONTID_0001157
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001157 ;
skos:definition "Compounds containing the sulfonyl group, with the general structure RS(=O)2R' ( R,R' must not be H)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001157" ;
skos:prefLabel "Sulfonyls"@en .
csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8003 ;
dbo:casNumber "68647-60-9" , "8031-35-4" , "109-66-0" , "68476-43-7" , "68475-60-5" , "68476-55-1" , "102056-77-9" ;
dbo:formula "C5H12" ;
dbo:inchi "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3" ;
dbo:iupacName "Pentane"@en ;
dbo:pubchem "8003"^^xsd:int ;
dbo:smiles "CCCCC" ;
dbp:inchikey "InChIKey=OFBQJSOFQDEBGM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_006 ;
skos:altLabel "pentaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5a" ;
skos:prefLabel "n-pentaan"@nl .
csc:YQEZLKZALYSWHR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3821 ;
dbo:casNumber "33643-45-7" , "6740-88-1" , "79499-51-7" , "100477-72-3" ;
dbo:formula "C13H16ClNO" ;
dbo:inchi "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3" ;
dbo:iupacName "2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one"@en ;
dbo:pubchem "3821"^^xsd:int ;
dbo:smiles "CNC1(CCCCC1=O)C2=CC=CC=C2Cl" ;
dbp:inchikey "InChIKey=YQEZLKZALYSWHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ketAe" ;
skos:prefLabel "ketamine"@nl .
csc:MEXUFEQDCXZEON-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9625 ;
dbo:casNumber "353-59-3" , "11104-73-7" ;
dbo:formula "CBrClF2" ;
dbo:inchi "InChI=1S/CBrClF2/c2-1(3,4)5" ;
dbo:iupacName "bromo-chloro-difluoromethane"@en ;
dbo:pubchem "9625"^^xsd:int ;
dbo:smiles "C(F)(F)(Cl)Br" ;
dbp:inchikey "InChIKey=MEXUFEQDCXZEON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1211" ;
skos:prefLabel "broomchloordifluormethaan"@nl .
csc:JAHJITLFJSDRCG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40485 ;
dbo:casNumber "55722-26-4" , "31472-83-0" , "11064-17-8" , "52663-78-2" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40485"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JAHJITLFJSDRCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB195" ;
skos:prefLabel "2,2',3,3',4,4',5,6-octachloorbifenyl"@nl .
csc:OYGQVDSRYXATEL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67820 ;
dbo:casNumber "375-92-8" ;
dbo:formula "C7HF15O3S" ;
dbo:inchi "InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid"@en ;
dbo:pubchem "67820"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=OYGQVDSRYXATEL-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-1-heptaansulfonzuur"@nl , "perfluor-n-heptaansulfonzuur (pfhps)"@nl , "perfluor-n-heptaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFHpS" ;
skos:prefLabel "perfluorheptaansulfonzuur (pfhps)"@nl .
csc:HXDOZKJGKXYMEW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31242 ;
dbo:casNumber "24979-70-2" , "123-07-9" , "29471-88-3" , "101052-19-1" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3" ;
dbo:iupacName "4-Ethylphenol"@en ;
dbo:pubchem "31242"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=HXDOZKJGKXYMEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2yFol" ;
skos:prefLabel "4-ethylfenol"@nl .
csc:IPPAUTOBDWNELX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:53672 ;
dbo:casNumber "77501-90-7" ;
dbo:formula "C18H13ClF3NO7" ;
dbo:inchi "InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3" ;
dbo:iupacName "(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "53672"^^xsd:int ;
dbo:smiles "CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=IPPAUTOBDWNELX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluogcfnC2y" ;
skos:prefLabel "fluorglycofen-ethyl"@nl .
csc:ZIMCZOLRXKPXLN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:121601 ;
dbo:casNumber "29956-99-8" ;
dbo:formula "C16H34S2" ;
dbo:inchi "InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3" ;
dbo:iupacName "2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane"@en ;
dbo:pubchem "121601"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C" ;
dbp:inchikey "InChIKey=ZIMCZOLRXKPXLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis1133T4C1y" ;
skos:prefLabel "bis(1,1,3,3-tetramethylbutyl) disulfide"@nl .
csc:BGCSUUSPRCDKBQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:78951 ;
dbo:casNumber "126-54-5" ;
dbo:formula "C7H12O4" ;
dbo:inchi "InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2" ;
dbo:iupacName "2,4,8,10-Tetraoxaspiro[5.5]undecane"@en ;
dbo:pubchem "78951"^^xsd:int ;
dbo:smiles "C1C2(COCO1)COCOC2" ;
dbp:inchikey "InChIKey=BGCSUUSPRCDKBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24810T4Oasr5" ;
skos:prefLabel "2,4,8,10 tetraoxaspiro(5.5)undecaan"@nl .
csc:CHEMONTID_0004674
skos:narrower csc:YUVKUEAFAVKILW-UHFFFAOYSA-N , csc:YUVKUEAFAVKILW-SECBINFHSA-N , csc:YUIKUTLBPMDDNQ-MRVPVSSYSA-N , csc:OOLBCHYXZDXLDS-UHFFFAOYSA-N , csc:MPPOHAUSNPTFAJ-UHFFFAOYSA-N , csc:ABOOPXYCKNFDNJ-UHFFFAOYSA-N .
csc:HFACYLZERDEVSX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7111 ;
dbo:casNumber "56481-94-8" , "92-87-5" , "46310-07-0" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)aniline"@en ;
dbo:pubchem "7111"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)N)N" ;
dbp:inchikey "InChIKey=HFACYLZERDEVSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003955 ;
skos:exactMatch wise:CAS_92-87-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzdne" ;
skos:prefLabel "benzidine"@nl ;
vcs:vmmParameterId "435"^^xsd:int .
csc:KWOLFJPFCHCOCG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7410 ;
dbo:casNumber "98-86-2" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" ;
dbo:iupacName "1-Phenylethanone"@en ;
dbo:pubchem "7410"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actfnn" ;
skos:prefLabel "acetofenon"@nl .
csc:FTOAOBMCPZCFFF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2294 ;
dbo:casNumber "57-44-3" ;
dbo:formula "C8H12N2O3" ;
dbo:inchi "InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "5,5-diethyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2294"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)CC" ;
dbp:inchikey "InChIKey=FTOAOBMCPZCFFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "barbtl" ;
skos:prefLabel "barbital"@nl .
csc:CHEMONTID_0001619
skos:narrower csc:ZKHQWZAMYRWXGA-UHFFFAOYSA-N .
csc:SYUHGPGVQRZVTB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24857 ;
dbo:casNumber "10043-92-2" ;
dbo:formula "Rn" ;
dbo:inchi "InChI=1S/Rn" ;
dbo:iupacName "RADON"@en ;
dbo:pubchem "24857"^^xsd:int ;
dbo:smiles "[Rn]" ;
dbp:inchikey "InChIKey=SYUHGPGVQRZVTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rn" ;
skos:prefLabel "radon"@nl .
csc:CHEMONTID_0002363
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002363 ;
skos:definition "Amide derivatives of phenylacetic acids."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:METKIMKYRPQLGS-UHFFFAOYSA-N , csc:LSBDFXRDZJMBSC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002363" ;
skos:prefLabel "Phenylacetamides"@en .
csc:DTQVDTLACAAQTR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6422 ;
dbo:casNumber "76-05-1" ;
dbo:formula "C2HF3O2" ;
dbo:inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2,2-trifluoroacetic acid"@en ;
dbo:pubchem "6422"^^xsd:int ;
dbo:smiles "C(=O)(C(F)(F)F)O" ;
dbp:inchikey "InChIKey=DTQVDTLACAAQTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFHAc" ;
skos:prefLabel "trifluorazijnzuur"@nl .
csc:CHEMONTID_0004112
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004112 ;
skos:definition "Organic compounds containing two benzoyl groups O-linked to each other via a peroxide group. Their skeleton has the general formula [C6H5C(O)]2O2."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OMPJBNCRMGITSC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004112" ;
skos:prefLabel "Benzoyl peroxides"@en .
csc:PCHJSUWPFVWCPO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23985 ;
dbo:casNumber "15456-07-2" , "59597-42-1" , "33019-35-1" , "7440-57-5" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au" ;
dbo:iupacName "GOLD"@en ;
dbo:pubchem "23985"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "InChIKey=PCHJSUWPFVWCPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au" ;
skos:prefLabel "goud"@nl .
csc:OTSYFFDVDLHIKX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20632 ;
dbo:casNumber "4534-49-0" ;
dbo:formula "C19H32" ;
dbo:inchi "InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3" ;
dbo:iupacName "tridecan-6-ylbenzene"@en ;
dbo:pubchem "20632"^^xsd:int ;
dbo:smiles "CCCCCCCC(CCCCC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=OTSYFFDVDLHIKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C5yC8yBen" ;
skos:prefLabel "1-(pentyloctyl)-benzeen"@nl .
csc:LGXVIGDEPROXKC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6366 ;
dbo:casNumber "39373-50-7" , "9050-12-8" , "120025-75-4" , "9002-85-1" , "56590-95-5" , "25038-48-6" , "37243-65-5" , "75-35-4" , "50861-72-8" , "50926-92-6" ;
dbo:formula "C2H2Cl2" ;
dbo:inchi "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2" ;
dbo:iupacName "1,1-Dichloroethene"@en ;
dbo:pubchem "6366"^^xsd:int ;
dbo:smiles "C=C(Cl)Cl" ;
dbp:inchikey "InChIKey=LGXVIGDEPROXKC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_002 ;
skos:altLabel "1,1-dichlooretheen"@nl , "1,1-dichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0001168 ;
skos:exactMatch wise:CAS_75-35-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC2e" ;
skos:prefLabel "1,1-dichloorethyleen"@nl ;
vcs:vmmParameterId "312"^^xsd:int .
csc:CAWXEEYDBZRFPE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39965 ;
dbo:casNumber "51235-04-2" ;
dbo:formula "C12H20N4O2" ;
dbo:inchi "InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3" ;
dbo:iupacName "3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione"@en ;
dbo:pubchem "39965"^^xsd:int ;
dbo:smiles "CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C" ;
dbp:inchikey "InChIKey=CAWXEEYDBZRFPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:exactMatch wise:CAS_51235-04-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxznn" ;
skos:prefLabel "hexazinon"@nl ;
vcs:vmmParameterId "750"^^xsd:int .
csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'butanon'"@nl ;
rdfs:seeAlso compound:6569 ;
dbo:casNumber "135311-02-3" , "78-93-3" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3" ;
dbo:iupacName "butan-2-one"@en ;
dbo:pubchem "6569"^^xsd:int ;
dbo:smiles "CCC(=O)C" ;
dbp:inchikey "InChIKey=ZWEHNKRNPOVVGH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 ;
skos:altLabel "2-butanon"@nl , "2-butanon (mek)"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4on" ;
skos:prefLabel "2-butanon (MEK)"@nl .
csc:VLLVVZDKBSYMCG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:44163 ;
dbo:casNumber "62796-65-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-5-10(15)12(11(16)6-7)8-3-1-2-4-9(8)14/h1-6H" ;
dbo:iupacName "1,3,5-trichloro-2-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "44163"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VLLVVZDKBSYMCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB50" ;
skos:prefLabel "2,2',4,6-tetrachloorbifenyl"@nl .
csc:JAWPQJDOQPSNIQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47457 ;
dbo:casNumber "64744-50-9" ;
dbo:formula "C9H15NO" ;
dbo:inchi "InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)" ;
dbo:iupacName "2-azaspiro[4.5]decan-3-one"@en ;
dbo:pubchem "47457"^^xsd:int ;
dbo:smiles "C1CCC2(CC1)CC(=O)NC2" ;
dbp:inchikey "InChIKey=JAWPQJDOQPSNIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000130 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gabptnltm" ;
skos:prefLabel "gabapentine-lactam"@nl .
csc:RJKGJBPXVHTNJL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6849 ;
dbo:casNumber "86-57-7" , "27254-36-0" ;
dbo:formula "C10H7NO2" ;
dbo:inchi "InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" ;
dbo:iupacName "['1-Nitronaphthalene', 'N,N-dihydroxynaphthalen-1-amine']"@en ;
dbo:pubchem "6849"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RJKGJBPXVHTNJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1NO2Naf" ;
skos:prefLabel "1-nitronaftaleen"@nl .
csc:DKPHLYCEFBDQKM-UHFFFAOYSA-H
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161581 ;
dbo:casNumber "6419-19-8" , "40588-62-3" , "27794-93-0" ;
dbo:formula "C3H6K6NO9P3" ;
dbo:inchi "InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6" ;
dbo:iupacName "hexapotassium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine"@en ;
dbo:pubchem "161581"^^xsd:int ;
dbo:smiles "C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]" ;
dbp:inchikey "InChIKey=DKPHLYCEFBDQKM-UHFFFAOYSA-H" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AoTC1yePA" ;
skos:prefLabel "aminotrimethyleen fosfonzuur"@nl .
[ a skos:Concept ;
skos:inScheme vlcs:chemische_stof
] .
csc:CHEMONTID_0003909
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003909 ;
skos:definition "Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003909" ;
skos:prefLabel "Fatty Acyls"@en .
csc:FFQPZWRNXKPNPX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6451159 ;
dbo:casNumber "113614-08-7" ;
dbo:formula "C18H17F4NO2" ;
dbo:inchi "InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)" ;
dbo:iupacName "2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide"@en ;
dbo:pubchem "6451159"^^xsd:int ;
dbo:smiles "CCC(C(=O)NCC1=CC=CC=C1)OC2=CC(=C(C=C2)F)C(F)(F)F" ;
dbp:inchikey "InChIKey=FFQPZWRNXKPNPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "befbtAd" ;
skos:prefLabel "beflubutamide"@nl .
csc:HCWPIIXVSYCSAN-YPZZEJLDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328538 ;
dbo:casNumber "13233-32-4" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1-2" ;
dbo:iupacName "radium-224"@en ;
dbo:pubchem "6328538"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "InChIKey=HCWPIIXVSYCSAN-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra224" ;
skos:prefLabel "radium 224"@nl .
csc:LYRFLYHAGKPMFH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31292 ;
dbo:casNumber "37189-35-8" , "124-26-5" ;
dbo:formula "C18H37NO" ;
dbo:inchi "InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)" ;
dbo:iupacName "Octadecanamide"@en ;
dbo:pubchem "31292"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)N" ;
dbp:inchikey "InChIKey=LYRFLYHAGKPMFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18aAd" ;
skos:prefLabel "octadecanamide"@nl .
csc:BIJNHUAPTJVVNQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21387 ;
dbo:casNumber "63021-84-1" , "5315-79-7" ;
dbo:formula "C16H10O" ;
dbo:inchi "InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H" ;
dbo:iupacName "Pyren-1-ol"@en ;
dbo:pubchem "21387"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O" ;
dbp:inchikey "InChIKey=BIJNHUAPTJVVNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOxPyr" ;
skos:prefLabel "1-hydroxypyreen"@nl .
csc:LSBDFXRDZJMBSC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7680 ;
dbo:casNumber "4463-20-1" , "103-81-1" ;
dbo:formula "C8H9NO" ;
dbo:inchi "InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)" ;
dbo:iupacName "2-Phenylacetamide"@en ;
dbo:pubchem "7680"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC(=O)N" ;
dbp:inchikey "InChIKey=LSBDFXRDZJMBSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyacAd" ;
skos:prefLabel "2-fenylacetamide"@nl .
csc:FERIUCNNQQJTOY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:264 ;
dbo:casNumber "107-92-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" ;
dbo:iupacName "butanoic acid"@en ;
dbo:pubchem "264"^^xsd:int ;
dbo:smiles "CCCC(=O)O" ;
dbp:inchikey "InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "botzr" ;
skos:prefLabel "boterzuur"@nl .
csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7270 ;
dbo:casNumber "63697-22-3" , "95-94-3" , "12408-10-5" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H" ;
dbo:iupacName "1,2,4,5-Tetrachlorobenzene"@en ;
dbo:pubchem "7270"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JHBKHLUZVFWLAG-UHFFFAOYSA-N" ;
skos:altLabel "tetrachloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_95-94-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1245T4ClBen" , "T4ClBen" ;
skos:prefLabel "1,2,4,5-tetrachloorbenzeen"@nl ;
vcs:vmmParameterId "316"^^xsd:int .
csc:IXBQSRWSVIBXNC-ANPQUZCZSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437077 ;
dbo:casNumber "118399-22-7" ;
dbo:formula "C41H60N8O10" ;
dbo:inchi "InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8+" ;
dbo:iupacName "(2E)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid"@en ;
dbo:pubchem "6437077"^^xsd:int ;
dbo:smiles "CC=C1C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)O)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)CCCN=C(N)N)C)C(=O)O" ;
dbp:inchikey "InChIKey=IXBQSRWSVIBXNC-ANPQUZCZSA-N" ;
skos:broader csc:CHEMONTID_0004831 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nodlrn" ;
skos:prefLabel "nodularin"@nl .
csc:DLURHXYXQYMPLT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6978 ;
dbo:casNumber "89-62-3" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methyl-2-nitroaniline"@en ;
dbo:pubchem "6978"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=DLURHXYXQYMPLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2NO2An" ;
skos:prefLabel "4-methyl-2-nitroaniline"@nl .
csc:CHEMONTID_0001194
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001194 ;
skos:definition "Steroid derivatives carrying a C=O group attached to steroid skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WZDGZWOAQTVYBX-XOINTXKNSA-N ;
skos:notation "CHEMONTID:0001194" ;
skos:prefLabel "Oxosteroids"@en .
csc:MHOVAHRLVXNVSD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23948 ;
dbo:casNumber "24546-24-5" , "100041-37-0" , "7440-16-6" ;
dbo:formula "Rh" ;
dbo:inchi "InChI=1S/Rh" ;
dbo:iupacName "RHODIUM"@en ;
dbo:pubchem "23948"^^xsd:int ;
dbo:smiles "[Rh]" ;
dbp:inchikey "InChIKey=MHOVAHRLVXNVSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rh" ;
skos:prefLabel "rhodium"@nl .
csc:CHEMONTID_0003967
skos:narrower csc:JCMNMOBHVPONLD-UHFFFAOYSA-N .
csc:BABJTMNVJXLAEX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13943 ;
dbo:casNumber "1031-47-6" ;
dbo:formula "C12H19N6OP" ;
dbo:inchi "InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)" ;
dbo:iupacName "2-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine"@en ;
dbo:pubchem "13943"^^xsd:int ;
dbo:smiles "CN(C)P(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C" ;
dbp:inchikey "InChIKey=BABJTMNVJXLAEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tamfs" ;
skos:prefLabel "triamifos"@nl .
csc:SNGREZUHAYWORS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9554 ;
dbo:casNumber "65618-66-8" , "335-67-1" , "33496-48-9" ;
dbo:formula "C8HF15O2" ;
dbo:inchi "InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en ;
dbo:pubchem "9554"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=SNGREZUHAYWORS-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaanzuur (pfoa)"@nl , "perfluor-n-octaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:exactMatch wise:CAS_335-67-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA" ;
skos:prefLabel "perfluoroctaanzuur"@nl ;
vcs:vmmParameterId "2126"^^xsd:int , "2127"^^xsd:int , "1046"^^xsd:int .
csc:RRAFCDWBNXTKKO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3314 ;
dbo:casNumber "97-53-0" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" ;
dbo:iupacName "2-Methoxy-4-prop-2-enylphenol"@en ;
dbo:pubchem "3314"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)CC=C)O" ;
dbp:inchikey "InChIKey=RRAFCDWBNXTKKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "eugnl" ;
skos:prefLabel "eugenol"@nl .
csc:CHEMONTID_0002257
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002257 ;
skos:definition "Heterocyclic compounds containing a pyrrole ring substituted at one or more positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002257" ;
skos:prefLabel "Substituted pyrroles"@en .
csc:YEJAJYAHJQIWNU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54360 ;
dbo:casNumber "79307-93-0" , "37932-96-0" , "58581-89-8" ;
dbo:formula "C22H25Cl2N3O" ;
dbo:inchi "InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H" ;
dbo:iupacName "4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride"@en ;
dbo:pubchem "54360"^^xsd:int ;
dbo:smiles "CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl" ;
dbp:inchikey "InChIKey=YEJAJYAHJQIWNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azltne" ;
skos:prefLabel "azelastine"@nl .
csc:OJMBMWRMTMHMSZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:106027 ;
dbo:casNumber "67905-19-5" ;
dbo:formula "C16HF31O2" ;
dbo:inchi "InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid"@en ;
dbo:pubchem "106027"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=OJMBMWRMTMHMSZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-hexadecaanzuur (pfhxda)"@nl , "perfluorhexadecaanzuur (pfhxda)"@nl , "perfluor-n-hexadecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFC16azr" ;
skos:prefLabel "perfluorhexadecaanzuur"@nl .
csc:CHEMONTID_0000031
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000031 ;
skos:definition "Organic compounds containing a sulfonamide group that is S-linked to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XOPFESVZMSQIKC-UHFFFAOYSA-N , csc:JLRGJRBPOGGCBT-UHFFFAOYSA-N , csc:GXPIUNZCALHVBA-UHFFFAOYSA-N , csc:WIGIZIANZCJQQY-UHFFFAOYSA-N , csc:WMLPCIHUFDKWJU-UHFFFAOYSA-N , csc:VDQQXEISLMTGAB-UHFFFAOYSA-N , csc:IPRJXAGUEGOFGG-UHFFFAOYSA-N , csc:LTUNNEGNEKBSEH-UHFFFAOYSA-N , csc:NATWUQFQFMZVMT-UHFFFAOYSA-N , csc:BGRJTUBHPOOWDU-UHFFFAOYSA-N , csc:NJIZUWGMNCUKGU-UHFFFAOYSA-N , csc:ZNNLBTZKUZBEKO-UHFFFAOYSA-N , csc:YCMLQMDWSXFTIF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000031" ;
skos:prefLabel "Benzenesulfonamides"@en .
csc:YREYEVIYCVEVJK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5029 ;
dbo:casNumber "117976-89-3" ;
dbo:formula "C18H21N3O3S" ;
dbo:inchi "InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)" ;
dbo:iupacName "2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole"@en ;
dbo:pubchem "5029"^^xsd:int ;
dbo:smiles "CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC" ;
dbp:inchikey "InChIKey=YREYEVIYCVEVJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001891 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "rabeprazol"@nl .
csc:CBGUOGMQLZIXBE-XGQKBEPLSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32798 ;
dbo:casNumber "25122-46-7" ;
dbo:formula "C25H32ClFO5" ;
dbo:inchi "InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1" ;
dbo:iupacName "[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"@en ;
dbo:pubchem "32798"^^xsd:int ;
dbo:smiles "CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl" ;
dbp:inchikey "InChIKey=CBGUOGMQLZIXBE-XGQKBEPLSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clobtsppont" ;
skos:prefLabel "clobetasolpropionaat"@nl .
csc:CHEMONTID_0004632
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004632 ;
skos:definition "Organosulfur compounds containing a sulfoxide group substituted with a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LUQMWGMGWJEGAT-UHFFFAOYSA-N , csc:GTZCKTIZOGTWQO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004632" ;
skos:prefLabel "Phenyl sulfoxides"@en .
csc:CHEMONTID_0001656
skos:narrower csc:NLXGURFLBLRZRO-UHFFFAOYSA-N , csc:NKDDWNXOKDWJAK-UHFFFAOYSA-N , csc:GKKDCARASOJPNG-UHFFFAOYSA-N .
csc:CHEMONTID_0000429
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000429 ;
skos:definition "Inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GWXLDORMOJMVQZ-UHFFFAOYSA-N , csc:KJZYNXUDTRRSPN-UHFFFAOYSA-N , csc:UYAHIZSMUZPPFV-UHFFFAOYSA-N , csc:GZCRRIHWUXGPOV-UHFFFAOYSA-N , csc:GZCRRIHWUXGPOV-OUBTZVSYSA-N , csc:FZLIPJUXYLNCLC-OUBTZVSYSA-N , csc:GWXLDORMOJMVQZ-OUBTZVSYSA-N , csc:NAWDYIZEMPQZHO-NJFSPNSNSA-N , csc:PUDIUYLPXJFUGB-UHFFFAOYSA-N , csc:FRNOGLGSGLTDKL-UHFFFAOYSA-N , csc:OHSVLFRHMCKCQY-NJFSPNSNSA-N , csc:GWXLDORMOJMVQZ-RNFDNDRNSA-N , csc:VQMWBBYLQSCNPO-UHFFFAOYSA-N , csc:QEFYFXOXNSNQGX-AKLPVKDBSA-N , csc:FZLIPJUXYLNCLC-UHFFFAOYSA-N , csc:OGPBJKLSAFTDLK-NJFSPNSNSA-N , csc:KBQHZAAAGSGFKK-UHFFFAOYSA-N , csc:UIWYJDYFSGRHKR-UHFFFAOYSA-N , csc:OHSVLFRHMCKCQY-UHFFFAOYSA-N , csc:QEFYFXOXNSNQGX-UHFFFAOYSA-N , csc:GWXLDORMOJMVQZ-BJUDXGSMSA-N , csc:OGPBJKLSAFTDLK-AKLPVKDBSA-N , csc:UIWYJDYFSGRHKR-AHCXROLUSA-N , csc:OHSVLFRHMCKCQY-YPZZEJLDSA-N , csc:OGPBJKLSAFTDLK-UHFFFAOYSA-N , csc:OGPBJKLSAFTDLK-IGMARMGPSA-N , csc:NAWDYIZEMPQZHO-UHFFFAOYSA-N , csc:KZUNJOHGWZRPMI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000429" ;
skos:prefLabel "Homogeneous lanthanide compounds"@en .
csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:261 ;
dbo:casNumber "123-72-8" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3" ;
dbo:iupacName "BUTANAL"@en ;
dbo:pubchem "261"^^xsd:int ;
dbo:smiles "CCCC=O" ;
dbp:inchikey "InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N" ;
skos:altLabel "butyraldehyde"@nl ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4al" ;
skos:prefLabel "butanal"@nl .
csc:CHEMONTID_0002798
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002798 ;
skos:definition "Triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XTFIVUDBNACUBN-UHFFFAOYSA-N , csc:VKYKSIONXSXAKP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002798" ;
skos:prefLabel "1,3,5-triazinanes"@en .
csc:RLLPVAHGXHCWKJ-HKUYNNGSSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:40463 ;
dbo:casNumber "57608-04-5" , "61949-76-6" , "93388-66-0" , "63364-00-1" , "75497-64-2" , "54774-45-7" , "52645-53-1" , "60018-94-2" ;
dbo:formula "C21H20Cl2O3" ;
dbo:inchi "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1" ;
dbo:iupacName "[3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "40463"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=RLLPVAHGXHCWKJ-HKUYNNGSSA-N" ;
skos:altLabel "permethrin"@nl , "cis-permethrin"@nl ;
skos:broader csc:CHEMONTID_0001461 ;
skos:exactMatch wise:CAS_52645-53-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cpermtn" , "permtn" ;
skos:prefLabel "cis-permetryn"@nl ;
vcs:vmmParameterId "1483"^^xsd:int .
csc:FQDIANVAWVHZIR-OWOJBTEDSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:642197 ;
dbo:casNumber "110-57-6" , "764-41-0" ;
dbo:formula "C4H6Cl2" ;
dbo:inchi "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+" ;
dbo:iupacName "['1,4-Dichlorobut-2-ene', '(E)-1,4-dichlorobut-2-ene']"@en ;
dbo:pubchem "642197"^^xsd:int ;
dbo:smiles "C(C=CCCl)Cl" ;
dbp:inchikey "InChIKey=FQDIANVAWVHZIR-OWOJBTEDSA-N" ;
skos:altLabel "1,4-dichloor-2-buteen"@nl ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DCl2C4e" , "t14DCl2C4e" ;
skos:prefLabel "trans-1,4-dichloor-2-buteen"@nl .
csc:CDZOGLJOFWFVOZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12153 ;
dbo:casNumber "622-80-0" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3" ;
dbo:iupacName "N-PROPYLANILINE"@en ;
dbo:pubchem "12153"^^xsd:int ;
dbo:smiles "CCCNC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=CDZOGLJOFWFVOZ-UHFFFAOYSA-N" ;
skos:altLabel "n-propylaniline"@nl ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC3yAn" ;
skos:prefLabel "N-propylaniline"@nl .
csc:JWZXKXIUSSIAMR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22772 ;
dbo:casNumber "6317-18-6" ;
dbo:formula "C3H2N2S2" ;
dbo:inchi "InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2" ;
dbo:iupacName "dithiocyanatomethane"@en ;
dbo:pubchem "22772"^^xsd:int ;
dbo:smiles "C(SC#N)SC#N" ;
dbp:inchikey "InChIKey=JWZXKXIUSSIAMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002132 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yebtoCN" ;
skos:prefLabel "methyleenbisthiocyanaat"@nl .
csc:VXIVSQZSERGHQP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6580 ;
dbo:casNumber "79-07-2" ;
dbo:formula "C2H4ClNO" ;
dbo:inchi "InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)" ;
dbo:iupacName "2-Chloroacetamide"@en ;
dbo:pubchem "6580"^^xsd:int ;
dbo:smiles "C(C(=O)N)Cl" ;
dbp:inchikey "InChIKey=VXIVSQZSERGHQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004527 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClacAd" ;
skos:prefLabel "2-chlooraceetamide"@nl .
csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'fosforwaterstof'"@nl ;
rdfs:seeAlso compound:24404 ;
dbo:casNumber "7803-51-2" , "29879-37-6" , "167076-44-0" ;
dbo:formula "H3P" ;
dbo:inchi "InChI=1S/H3P/h1H3" ;
dbo:iupacName "['phosphane', '$l^{1}-phosphane']"@en ;
dbo:pubchem "24404"^^xsd:int ;
dbo:smiles "P" ;
dbp:inchikey "InChIKey=XYFCBTPGUUZFHI-UHFFFAOYSA-N" ;
skos:altLabel "fosforwaterstof of fosfine of fosfaan?"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfne" ;
skos:prefLabel "fosfine"@nl .
csc:XTXRWKRVRITETP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7904 ;
dbo:casNumber "61891-42-7" , "82041-23-4" , "85306-26-9" , "220713-36-0" , "108-05-4" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3" ;
dbo:iupacName "Ethenyl acetate"@en ;
dbo:pubchem "7904"^^xsd:int ;
dbo:smiles "CC(=O)OC=C" ;
dbp:inchikey "InChIKey=XTXRWKRVRITETP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0002354 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vinactt" ;
skos:prefLabel "vinylacetaat"@nl .
csc:ISRUGXGCCGIOQO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4944 ;
dbo:casNumber "114-26-1" ;
dbo:formula "C11H15NO3" ;
dbo:inchi "InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2-propan-2-yloxyphenyl) N-methylcarbamate"@en ;
dbo:pubchem "4944"^^xsd:int ;
dbo:smiles "CC(C)OC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=ISRUGXGCCGIOQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propxr" ;
skos:prefLabel "propoxur"@nl .
csc:PEDCQBHIVMGVHV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:753 ;
dbo:casNumber "75398-78-6" , "25618-55-7" , "8013-25-0" , "37228-54-9" , "30049-52-6" , "78630-16-7" , "64333-26-2" , "8043-29-6" , "56-81-5" , "29796-42-7" , "175385-78-1" ;
dbo:formula "C3H8O3" ;
dbo:inchi "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" ;
dbo:iupacName "PROPANE-1,2,3-TRIOL"@en ;
dbo:pubchem "753"^^xsd:int ;
dbo:smiles "C(C(CO)O)O" ;
dbp:inchikey "InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrne" ;
skos:prefLabel "glycerine"@nl .
csc:TYEDCFVCFDKSBK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38857 ;
dbo:casNumber "41411-64-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38857"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=TYEDCFVCFDKSBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB190" ;
skos:prefLabel "2,3,3',4,4',5,6-heptachloorbifenyl"@nl .
csc:AVYGCQXNNJPXSS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7262 ;
dbo:casNumber "95-82-9" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2" ;
dbo:iupacName "2,5-Dichloroaniline"@en ;
dbo:pubchem "7262"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)N)Cl" ;
dbp:inchikey "InChIKey=AVYGCQXNNJPXSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-82-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClAn" ;
skos:prefLabel "2,5-dichlooraniline"@nl ;
vcs:vmmParameterId "45"^^xsd:int .
csc:BNIXVQGCZULYKV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6419 ;
dbo:casNumber "76-01-7" ;
dbo:formula "C2HCl5" ;
dbo:inchi "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "1,1,1,2,2-pentachloroethane"@en ;
dbo:pubchem "6419"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=BNIXVQGCZULYKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClC2a" ;
skos:prefLabel "pentachloorethaan"@nl .
csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6391 ;
dbo:casNumber "185009-39-6" , "75-71-8" , "62185-71-1" ;
dbo:formula "CCl2F2" ;
dbo:inchi "InChI=1S/CCl2F2/c2-1(3,4)5" ;
dbo:iupacName "dichloro-difluoromethane"@en ;
dbo:pubchem "6391"^^xsd:int ;
dbo:smiles "C(F)(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=PXBRQCKWGAHEHS-UHFFFAOYSA-N" ;
skos:altLabel "dichloordifluormethaan (cfk12)"@nl , "dichloordifluormethaan"@nl ;
skos:broader csc:CHEMONTID_0004521 ;
skos:exactMatch wise:CAS_75-71-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK12" ;
skos:prefLabel "dichloordifluormethaan "@nl ;
vcs:vmmParameterId "378"^^xsd:int .
csc:PWWVAXIEGOYWEE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4927 ;
dbo:casNumber "73745-50-3" , "38878-40-9" , "60-87-7" ;
dbo:formula "C17H20N2S" ;
dbo:inchi "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3" ;
dbo:iupacName "N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine"@en ;
dbo:pubchem "4927"^^xsd:int ;
dbo:smiles "CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C" ;
dbp:inchikey "InChIKey=PWWVAXIEGOYWEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtzne" ;
skos:prefLabel "promethazine"@nl .
csc:CHEMONTID_0000408
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000408 ;
skos:definition "Organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LTQSAUHRSCMPLD-UHFFFAOYSA-N , csc:ILBONRFSLATCRE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000408" ;
skos:prefLabel "Phosphate esters"@en .
csc:CHEMONTID_0001152
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001152 ;
skos:definition "Compounds having the nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UZGLIIJVICEWHF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001152" ;
skos:prefLabel "Organic nitro compounds"@en .
csc:BAQAVOSOZGMPRM-QBMZZYIRSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71485 ;
dbo:casNumber "56038-13-2" ;
dbo:formula "C12H19Cl3O8" ;
dbo:inchi "InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1" ;
dbo:iupacName "(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol"@en ;
dbo:pubchem "71485"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O" ;
dbp:inchikey "InChIKey=BAQAVOSOZGMPRM-QBMZZYIRSA-N" ;
skos:broader csc:CHEMONTID_0002204 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "suclse" ;
skos:prefLabel "sucralose"@nl .
csc:SAOKZLXYCUGLFA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7641 ;
dbo:casNumber "103-23-1" , "39393-67-4" , "63637-48-9" , "70147-21-6" ;
dbo:formula "C22H42O4" ;
dbo:inchi "InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3" ;
dbo:iupacName "Bis(2-ethylhexyl) hexanedioate"@en ;
dbo:pubchem "7641"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC" ;
dbp:inchikey "InChIKey=SAOKZLXYCUGLFA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BISADPT" ;
skos:prefLabel "bis(2-ethylhexyl)adipaat"@nl .
csc:WRAGCBBWIYQMRF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14301 ;
dbo:casNumber "1124-53-4" ;
dbo:formula "C8H15NO" ;
dbo:inchi "InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)" ;
dbo:iupacName "N-Cyclohexylacetamide"@en ;
dbo:pubchem "14301"^^xsd:int ;
dbo:smiles "CC(=O)NC1CCCCC1" ;
dbp:inchikey "InChIKey=WRAGCBBWIYQMRF-UHFFFAOYSA-N" ;
skos:altLabel "n-cyclohexylacetamide"@nl ;
skos:broader csc:CHEMONTID_0003922 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NccC6yacAd" ;
skos:prefLabel "N-cyclohexylacetamide"@nl .
csc:RIPPXFWUYXTRNJ-BHARVXRSSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3046136 ;
dbo:casNumber "61585-22-6" , "18717-72-1" ;
dbo:formula "C16H20ClNO4" ;
dbo:inchi "InChI=1S/C16H19NO4.ClH/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10;/h2-6,11-14,17H,7-9H2,1H3;1H/t11-,12+,13-,14+;/m0./s1" ;
dbo:iupacName "methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride"@en ;
dbo:pubchem "3046136"^^xsd:int ;
dbo:smiles "COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3.Cl" ;
dbp:inchikey "InChIKey=RIPPXFWUYXTRNJ-BHARVXRSSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norccine" ;
skos:prefLabel "norcocaïne"@nl .
csc:KENZYIHFBRWMOD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36186 ;
dbo:casNumber "32598-11-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "36186"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=KENZYIHFBRWMOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB70" ;
skos:prefLabel "2,3',4',5-tetrachloorbifenyl"@nl .
csc:YQZBFMJOASEONC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14091 ;
dbo:casNumber "1074-17-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3" ;
dbo:iupacName "1-Methyl-2-propylbenzene"@en ;
dbo:pubchem "14091"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1C" ;
dbp:inchikey "InChIKey=YQZBFMJOASEONC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y2C3yBen" ;
skos:prefLabel "1-methyl-2-propylbenzeen"@nl .
csc:QEFYFXOXNSNQGX-AKLPVKDBSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:114848 ;
dbo:casNumber "14269-74-0" ;
dbo:formula "Nd" ;
dbo:inchi "InChI=1S/Nd/i1+3" ;
dbo:iupacName "neodymium-147"@en ;
dbo:pubchem "114848"^^xsd:int ;
dbo:smiles "[Nd]" ;
dbp:inchikey "InChIKey=QEFYFXOXNSNQGX-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nd147" ;
skos:prefLabel "neodymium 147"@nl .
csc:WNYADZVDBIBLJJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13591 ;
dbo:casNumber "930-55-2" , "68374-63-0" , "35884-45-8" ;
dbo:formula "C4H8N2O" ;
dbo:inchi "InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2" ;
dbo:iupacName "1-Nitrosopyrrolidine"@en ;
dbo:pubchem "13591"^^xsd:int ;
dbo:smiles "C1CCN(C1)N=O" ;
dbp:inchikey "InChIKey=WNYADZVDBIBLJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000218 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NOprldne" ;
skos:prefLabel "nitropyrrolidine"@nl .
csc:CHEMONTID_0001693
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001693 ;
skos:definition "Organic compounds containing an amino group attached to a triazine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YSRVJVDFHZYRPA-UHFFFAOYSA-N , csc:MZZBPDKVEFVLFF-UHFFFAOYSA-N , csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N , csc:FZXISNSWEXTPMF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001693" ;
skos:prefLabel "Aminotriazines"@en .
csc:PAPBSGBWRJIAAV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10401 ;
dbo:casNumber "67184-99-0" , "80137-66-2" , "24980-41-4" , "502-44-3" , "52004-64-5" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2" ;
dbo:iupacName "oxepan-2-one"@en ;
dbo:pubchem "10401"^^xsd:int ;
dbo:smiles "C1CCC(=O)OCC1" ;
dbp:inchikey "InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000050 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Oxepnn" ;
skos:prefLabel "2-oxepanon"@nl .
csc:CNKHSLKYRMDDNQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:114994 ;
dbo:casNumber "112226-61-6" ;
dbo:formula "C18H19ClN2O2" ;
dbo:inchi "InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)" ;
dbo:iupacName "N'-(benzoyl)-N'-tert-butyl-4-chlorobenzohydrazide"@en ;
dbo:pubchem "114994"^^xsd:int ;
dbo:smiles "CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=CNKHSLKYRMDDNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halfnzde" ;
skos:prefLabel "halofenozide"@nl .
csc:VKOBVWXKNCXXDE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10467 ;
dbo:casNumber "22302-43-8" , "506-30-9" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)" ;
dbo:iupacName "Icosanoic acid"@en ;
dbo:pubchem "10467"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "arcdzr" ;
skos:prefLabel "arachidezuur"@nl .
csc:VAIZTNZGPYBOGF-CYBMUJFWSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033674 ;
dbo:casNumber "79241-46-6" ;
dbo:formula "C19H20F3NO4" ;
dbo:inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1" ;
dbo:iupacName "butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "3033674"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=VAIZTNZGPYBOGF-CYBMUJFWSA-N" ;
skos:altLabel "fluazifop-p-butyl"@nl ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfPC4y" ;
skos:prefLabel "fluazifop-P-butyl"@nl .
csc:HWATZEJQIXKWQS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93539 ;
dbo:casNumber "104040-78-0" ;
dbo:formula "C13H12F3N5O5S" ;
dbo:inchi "InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea"@en ;
dbo:pubchem "93539"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC" ;
dbp:inchikey "InChIKey=HWATZEJQIXKWQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flazsfrn" ;
skos:prefLabel "flazasulfuron"@nl .
csc:YFNKIDBQEZZDLK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8189 ;
dbo:casNumber "70992-85-7" , "112-49-2" ;
dbo:formula "C8H18O4" ;
dbo:inchi "InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3" ;
dbo:iupacName "1,2-Bis(2-methoxyethoxy)ethane"@en ;
dbo:pubchem "8189"^^xsd:int ;
dbo:smiles "COCCOCCOCCOC" ;
dbp:inchikey "InChIKey=YFNKIDBQEZZDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25811T4OaC12" ;
skos:prefLabel "2,5,8,11-tetraoxadodecaan"@nl .
csc:AVKUERGKIZMTKX-NJBDSQKTSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6249 ;
dbo:casNumber "50584-05-9" , "69-53-4" , "37234-64-3" , "98520-55-9" , "800-79-3" , "96707-69-6" , "8056-87-9" , "33604-21-6" , "47355-94-2" ;
dbo:formula "C16H19N3O4S" ;
dbo:inchi "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6249"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C" ;
dbp:inchikey "InChIKey=AVKUERGKIZMTKX-NJBDSQKTSA-N" ;
skos:broader csc:CHEMONTID_0000174 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ampclne" ;
skos:prefLabel "ampicilline"@nl .
csc:CHEMONTID_0001614
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001614 ;
skos:definition "Compounds with a structure based on the 4-phenylchromene backbone."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001614" ;
skos:prefLabel "Neoflavonoids"@en .
csc:CHEMONTID_0003357
skos:narrower csc:RROQIUMZODEXOR-UHFFFAOYSA-N , csc:IMUDHTPIFIBORV-UHFFFAOYSA-N .
csc:GOPWOUQJIMLDDM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18405 ;
dbo:casNumber "3126-90-7" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3" ;
dbo:iupacName "dibutyl benzene-1,3-dicarboxylate"@en ;
dbo:pubchem "18405"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC" ;
dbp:inchikey "InChIKey=GOPWOUQJIMLDDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yiFt" ;
skos:prefLabel "dibutylisoftalaat"@nl .
csc:CHEMONTID_0003983
skos:narrower csc:RUELTTOHQODFPA-UHFFFAOYSA-N , csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N .
csc:LHHGDZSESBACKH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:299 ;
dbo:casNumber "143-50-0" ;
dbo:formula "C10Cl10O" ;
dbo:inchi "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20" ;
dbo:iupacName "1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one"@en ;
dbo:pubchem "299"^^xsd:int ;
dbo:smiles "C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LHHGDZSESBACKH-UHFFFAOYSA-N" ;
skos:altLabel "chloordecon"@nl ;
skos:broader csc:CHEMONTID_0001549 ;
skos:exactMatch wise:CAS_143-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cldcne" ;
skos:prefLabel "chloordecone"@nl ;
vcs:vmmParameterId "956"^^xsd:int .
csc:UZGLIIJVICEWHF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17596 ;
dbo:casNumber "141615-54-5" , "121631-13-8" , "5222-46-8" , "66745-90-2" , "97956-01-9" , "2691-41-0" , "66038-26-4" ;
dbo:formula "C4H8N8O8" ;
dbo:inchi "InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2" ;
dbo:iupacName "1,3,5,7-tetranitro-1,3,5,7-tetrazocane"@en ;
dbo:pubchem "17596"^^xsd:int ;
dbo:smiles "C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UZGLIIJVICEWHF-UHFFFAOYSA-N" ;
skos:altLabel "octogeen (HMX)"@nl ;
skos:broader csc:CHEMONTID_0001152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octgn" ;
skos:prefLabel "octogeen (hmx)"@nl .
csc:UDCDOJQOXWCCSD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:738302 ;
dbo:casNumber "66840-71-9" ;
dbo:formula "C9H14N2O2S" ;
dbo:inchi "InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3" ;
dbo:iupacName "1-(dimethylsulfamoylamino)-4-methylbenzene"@en ;
dbo:pubchem "738302"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)NS(=O)(=O)N(C)C" ;
dbp:inchikey "InChIKey=UDCDOJQOXWCCSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DMST" ;
skos:prefLabel "4-dimethylaminosulfotoluidide"@nl .
csc:CHEMONTID_0004505
skos:narrower csc:ZXVONLUNISGICL-UHFFFAOYSA-N , csc:UWEZBKLLMKVIPI-UHFFFAOYSA-N , csc:UFBJCMHMOXMLKC-UHFFFAOYSA-N , csc:UEMBNLWZFIWQFL-UHFFFAOYSA-N , csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N , csc:MHKBMNACOMRIAW-UHFFFAOYSA-N , csc:JCRIDWXIBSEOEG-UHFFFAOYSA-N , csc:IIPZYDQGBIWLBU-UHFFFAOYSA-N , csc:AKLOLDQYWQAREW-UHFFFAOYSA-N .
csc:CHEMONTID_0000530
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000530 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a post-transition metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IYJYQHRNMMNLRH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000530" ;
skos:prefLabel "Post-transition metal oxides"@en .
csc:OHLUUHNLEMFGTQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6582 ;
dbo:casNumber "1320-47-4" , "79-16-3" ;
dbo:formula "C3H7NO" ;
dbo:inchi "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)" ;
dbo:iupacName "N-Methylacetamide"@en ;
dbo:pubchem "6582"^^xsd:int ;
dbo:smiles "CC(=O)NC" ;
dbp:inchikey "InChIKey=OHLUUHNLEMFGTQ-UHFFFAOYSA-N" ;
skos:altLabel "n-methylaceetamide"@nl ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC1yacAd" ;
skos:prefLabel "N-methylaceetamide"@nl .
csc:CHEMONTID_0002273
skos:narrower csc:PIEXCQIOSMOEOU-UHFFFAOYSA-N .
csc:YSMRWXYRXBRSND-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6527 ;
dbo:casNumber "1336-40-9" , "78-30-8" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3" ;
dbo:iupacName "['hydroxy-tris(2-methylphenoxy)phosphanium', 'tris(2-methylphenyl) phosphate']"@en ;
dbo:pubchem "6527"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C" ;
dbp:inchikey "InChIKey=YSMRWXYRXBRSND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TocsPO4" ;
skos:prefLabel "tri-o-cresylfosfaat"@nl .
csc:OJMHGSMSQZEBFH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37454 ;
dbo:casNumber "36483-60-0" ;
dbo:formula "C12H4Br6O" ;
dbo:inchi "InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H" ;
dbo:iupacName "1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene"@en ;
dbo:pubchem "37454"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1OC2=C(C=C(C=C2Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=OJMHGSMSQZEBFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "hexabroomdifenylether"@nl .
csc:CTTHWASMBLQOFR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91777 ;
dbo:casNumber "120923-37-7" ;
dbo:formula "C9H15N5O7S2" ;
dbo:inchi "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)" ;
dbo:iupacName "3-(4,6-dimethoxypyrimidin-2-yl)-1-(methyl-methylsulfonylsulfamoyl)urea"@en ;
dbo:pubchem "91777"^^xsd:int ;
dbo:smiles "CN(S(=O)(=O)C)S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC" ;
dbp:inchikey "InChIKey=CTTHWASMBLQOFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000128 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amdsfrn" ;
skos:prefLabel "amidosulfuron"@nl .
csc:MECHNRXZTMCUDQ-VLOQVYPSSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6536972 ;
dbo:casNumber "50-14-6" ;
dbo:formula "C28H44O" ;
dbo:inchi "InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1" ;
dbo:iupacName "['(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol', '(1S)-3-[2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol']"@en ;
dbo:pubchem "6536972"^^xsd:int ;
dbo:smiles "CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C" ;
dbp:inchikey "InChIKey=MECHNRXZTMCUDQ-VLOQVYPSSA-N" ;
skos:broader csc:CHEMONTID_0001460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ergccfrl" ;
skos:prefLabel "ergocalciferol"@nl .
csc:NBQNWMBBSKPBAY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3724 ;
dbo:casNumber "92339-11-2" ;
dbo:formula "C35H44I6N6O15" ;
dbo:inchi "InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)" ;
dbo:iupacName "5-[acetyl-[3-[acetyl-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodophenyl]amino]-2-hydroxypropyl]amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3724"^^xsd:int ;
dbo:smiles "CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I" ;
dbp:inchikey "InChIKey=NBQNWMBBSKPBAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jodixnl" ;
skos:prefLabel "jodixanol"@nl .
csc:CHEMONTID_0000445
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000445 ;
skos:definition "Inorganic oxoanionic compounds in which the heaviest atom not in an oxoanion is an alkali metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000445" ;
skos:prefLabel "Alkali metal oxoanionic compounds"@en .
csc:WUOACPNHFRMFPN-VIFPVBQESA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:442501 ;
dbo:casNumber "7785-53-7" , "98-55-5" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1" ;
dbo:iupacName "2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol"@en ;
dbo:pubchem "442501"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(C)(C)O" ;
dbp:inchikey "InChIKey=WUOACPNHFRMFPN-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aterpnol" ;
skos:prefLabel "alfa-terpineol"@nl .
csc:WHWDWIHXSPCOKZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10408 ;
dbo:casNumber "16825-16-4" , "502-69-2" , "13955-74-3" ;
dbo:formula "C18H36O" ;
dbo:inchi "InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3" ;
dbo:iupacName "6,10,14-Trimethylpentadecan-2-one"@en ;
dbo:pubchem "10408"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=O)C" ;
dbp:inchikey "InChIKey=WHWDWIHXSPCOKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "61014TC1y2C1" ;
skos:prefLabel "6,10,14-trimethyl-2-pentadecanon"@nl .
csc:ITQTTZVARXURQS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7970 ;
dbo:casNumber "61204-14-6" , "108-99-6" , "82005-08-1" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3" ;
dbo:iupacName "3-Methylpyridine"@en ;
dbo:pubchem "7970"^^xsd:int ;
dbo:smiles "CC1=CN=CC=C1" ;
dbp:inchikey "InChIKey=ITQTTZVARXURQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yprdne" ;
skos:prefLabel "3-methylpyridine"@nl .
csc:PBFOWFPZALCTIY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:154485 ;
dbo:casNumber "86029-64-3" ;
dbo:formula "C12H5Br5" ;
dbo:inchi "InChI=1S/C12H5Br5/c13-7-4-10(16)12(11(17)5-7)6-1-2-8(14)9(15)3-6/h1-5H" ;
dbo:iupacName "1,3,5-tribromo-2-(3,4-dibromophenyl)benzene"@en ;
dbo:pubchem "154485"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=C(C=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=PBFOWFPZALCTIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE119" ;
skos:prefLabel "2,3',4,4',6-pentabroomdifenylether"@nl .
csc:AFWOYEYXUDHGHF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3022253 ;
dbo:casNumber "678-41-1" ;
dbo:formula "C20H9F34O4P" ;
dbo:inchi "InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)" ;
dbo:iupacName "Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate"@en ;
dbo:pubchem "3022253"^^xsd:int ;
dbo:smiles "C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=AFWOYEYXUDHGHF-UHFFFAOYSA-N" ;
skos:altLabel "bisperfluordecylwaterstoffosfaat (8:2 diPAP)"@nl , "8:2 fluortelomeerfosfaat diester"@nl , "bisperfluordecylwaterstoffosfaat (8:2 dipap)"@nl ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisPFC10yPO4" ;
skos:prefLabel "8:2 fluortelomeerfosfaat diester (8:2 dipap)"@nl .
csc:JARKCYVAAOWBJS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6184 ;
dbo:casNumber "66-25-1" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3" ;
dbo:iupacName "Hexanal"@en ;
dbo:pubchem "6184"^^xsd:int ;
dbo:smiles "CCCCCC=O" ;
dbp:inchikey "InChIKey=JARKCYVAAOWBJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6al" ;
skos:prefLabel "hexanal"@nl .
csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR II Art. 5.4.3.1.4"@nl ;
rdfs:seeAlso compound:6575 ;
dbo:casNumber "52037-46-4" , "79-01-6" ;
dbo:formula "C2HCl3" ;
dbo:inchi "InChI=1S/C2HCl3/c3-1-2(4)5/h1H" ;
dbo:iupacName "1,1,2-trichloroethene"@en ;
dbo:pubchem "6575"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=XSTXAVWGXDQKEL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_002 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:altLabel "trichlooretheen"@nl , "trichloorethyleen (tri)"@nl , "trichlooretheen (tri)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_79-01-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC2e" ;
skos:prefLabel "trichloorethyleen"@nl ;
vcs:vmmParameterId "385"^^xsd:int .
csc:UCSJYZPVAKXKNQ-HZYVHMACSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19649 ;
dbo:casNumber "57-92-1" ;
dbo:formula "C21H39N7O12" ;
dbo:inchi "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" ;
dbo:iupacName "2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine"@en ;
dbo:pubchem "19649"^^xsd:int ;
dbo:smiles "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O" ;
dbp:inchikey "InChIKey=UCSJYZPVAKXKNQ-HZYVHMACSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "streptmcne" ;
skos:prefLabel "streptomycine"@nl .
csc:ZDRBJJNXJOSCLR-YZKQBBCCSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:88045 ;
dbo:casNumber "6980-18-3" , "19408-46-9" ;
dbo:formula "C14H26ClN3O9" ;
dbo:inchi "InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1" ;
dbo:iupacName "2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride"@en ;
dbo:pubchem "88045"^^xsd:int ;
dbo:smiles "CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.Cl" ;
dbp:inchikey "InChIKey=ZDRBJJNXJOSCLR-YZKQBBCCSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "kasgmcne" ;
skos:prefLabel "kasugamycine"@nl .
csc:IBOFVQJTBBUKMU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7543 ;
dbo:casNumber "78642-65-6" , "126699-69-2" , "101-14-4" , "51065-07-7" , "29371-14-0" ;
dbo:formula "C13H12Cl2N2" ;
dbo:inchi "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2" ;
dbo:iupacName "4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline"@en ;
dbo:pubchem "7543"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "InChIKey=IBOFVQJTBBUKMU-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleenbis(2-chlooraniline)"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yeb2ClAn" ;
skos:prefLabel "4,4’-methylenebis(2-chlooraniline)"@nl .
csc:ZEKANFGSDXODPD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38078 ;
dbo:casNumber "96639-11-1" , "96638-41-4" , "38641-94-0" , "39226-77-2" , "258263-91-1" , "106805-61-2" ;
dbo:formula "C6H17N2O5P" ;
dbo:inchi "InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3" ;
dbo:iupacName "2-(phosphonomethylamino)acetic acid; propan-2-amine"@en ;
dbo:pubchem "38078"^^xsd:int ;
dbo:smiles "CC(C)N.C(C(=O)O)NCP(=O)(O)O" ;
dbp:inchikey "InChIKey=ZEKANFGSDXODPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsiC3yNH4" ;
skos:prefLabel "glyfosaat-isopropylammonium"@nl .
csc:INLLPKCGLOXCIV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11641 ;
dbo:casNumber "593-60-2" , "25951-54-6" ;
dbo:formula "C2H3Br" ;
dbo:inchi "InChI=1S/C2H3Br/c1-2-3/h2H,1H2" ;
dbo:iupacName "Bromoethene"@en ;
dbo:pubchem "11641"^^xsd:int ;
dbo:smiles "C=CBr" ;
dbp:inchikey "InChIKey=INLLPKCGLOXCIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrC2e" ;
skos:prefLabel "broometheen"@nl .
csc:CHEMONTID_0003962
skos:narrower csc:CXZGQIAOTKWCDB-UHFFFAOYSA-N , csc:PCIUEQPBYFRTEM-UHFFFAOYSA-N , csc:SIDINRCMMRKXGQ-UHFFFAOYSA-N , csc:CXGONMQFMIYUJR-UHFFFAOYSA-N , csc:JVZREVRTMWNFME-UHFFFAOYSA-N , csc:PXUULQAPEKKVAH-UHFFFAOYSA-N , csc:SNGREZUHAYWORS-UHFFFAOYSA-N , csc:YOALFLHFSFEMLP-UHFFFAOYSA-N , csc:VRXISYRYNOUKHO-UHFFFAOYSA-N , csc:YPJUNDFVDDCYIH-UHFFFAOYSA-N .
csc:DSSYKIVIOFKYAU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2537 ;
dbo:casNumber "8022-77-3" , "8013-55-6" , "21368-68-3" , "76-22-2" , "48113-22-0" , "68546-28-1" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3" ;
dbo:iupacName "1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"@en ;
dbo:pubchem "2537"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)C)C" ;
dbp:inchikey "InChIKey=DSSYKIVIOFKYAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "camfr" ;
skos:prefLabel "camfor"@nl .
csc:XQVCBOLNTSUFGD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21441 ;
dbo:casNumber "5345-54-0" ;
dbo:formula "C7H8ClNO" ;
dbo:inchi "InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3" ;
dbo:iupacName "3-Chloro-4-methoxyaniline"@en ;
dbo:pubchem "21441"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)N)Cl" ;
dbp:inchikey "InChIKey=XQVCBOLNTSUFGD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1oxAn" ;
skos:prefLabel "3-chloor-4-methoxyaniline"@nl .
csc:RUCAXVJJQQJZGU-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105048 ;
dbo:casNumber "81591-81-3" , "87090-28-6" ;
dbo:formula "C6H16NO5PS" ;
dbo:inchi "InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1" ;
dbo:iupacName "2-(phosphonomethylamino)acetate; trimethylsulfanium"@en ;
dbo:pubchem "105048"^^xsd:int ;
dbo:smiles "C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O" ;
dbp:inchikey "InChIKey=RUCAXVJJQQJZGU-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsTmsm" ;
skos:prefLabel "glyfosaat-trimesium"@nl .
csc:CHEMONTID_0004478
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004478 ;
skos:definition "Compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TVDSBUOJIPERQY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004478" ;
skos:prefLabel "Acetylides"@en .
csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1732 ;
dbo:casNumber "59-50-7" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3" ;
dbo:iupacName "4-Chloro-3-methylphenol"@en ;
dbo:pubchem "1732"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)O)Cl" ;
dbp:inchikey "InChIKey=CFKMVGJGLGKFKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001273 ;
skos:exactMatch wise:CAS_59-50-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3C1yFol" ;
skos:prefLabel "4-chloor-3-methylfenol"@nl ;
vcs:vmmParameterId "363"^^xsd:int .
csc:YBYIRNPNPLQARY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7219 ;
dbo:casNumber "95-13-6" , "71551-80-9" , "9003-64-9" ;
dbo:formula "C9H8" ;
dbo:inchi "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2" ;
dbo:iupacName "1H-Indene"@en ;
dbo:pubchem "7219"^^xsd:int ;
dbo:smiles "C1C=CC2=CC=CC=C21" ;
dbp:inchikey "InChIKey=YBYIRNPNPLQARY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "inde" ;
skos:prefLabel "indeen"@nl .
csc:IMACFCSSMIZSPP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10757 ;
dbo:casNumber "532-27-4" ;
dbo:formula "C8H7ClO" ;
dbo:inchi "InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2" ;
dbo:iupacName "2-Chloro-1-phenylethanone"@en ;
dbo:pubchem "10757"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)CCl" ;
dbp:inchikey "InChIKey=IMACFCSSMIZSPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Clactfnn" ;
skos:prefLabel "2-chlooracetofenon"@nl .
csc:CHEMONTID_0000424
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000424 ;
skos:definition "Compounds that contains both metal and non metal atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000424" ;
skos:prefLabel "Mixed metal/non-metal compounds"@en .
csc:ZVFDTKUVRCTHQE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33599 ;
dbo:casNumber "105009-98-1" , "148384-02-5" , "68515-49-1" , "119394-45-5" , "26761-40-0" , "89-16-7" , "1341-39-5" ;
dbo:formula "C28H46O4" ;
dbo:inchi "InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3" ;
dbo:iupacName "bis(8-methylnonyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "33599"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=ZVFDTKUVRCTHQE-UHFFFAOYSA-N" ;
skos:altLabel "C10-rijk di-C9-11-vertakt alkylftalaat"@nl , "diisodecylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10D911akFt" , "DiC10yFt" ;
skos:prefLabel "di-isodecylftalaat (mix van isomeren)"@nl .
csc:PVNIIMVLHYAWGP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:938 ;
dbo:casNumber "123574-58-3" , "59-67-6" ;
dbo:formula "C6H5NO2" ;
dbo:inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" ;
dbo:iupacName "Pyridine-3-carboxylic acid"@en ;
dbo:pubchem "938"^^xsd:int ;
dbo:smiles "C1=CC(=CN=C1)C(=O)O" ;
dbp:inchikey "InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "niacne" ;
skos:prefLabel "niacyne"@nl .
csc:GNPVGFCGXDBREM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6326954 ;
dbo:casNumber "129827-75-4" , "7440-56-4" ;
dbo:formula "Ge" ;
dbo:inchi "InChI=1S/Ge" ;
dbo:iupacName "GERMANIUM"@en ;
dbo:pubchem "6326954"^^xsd:int ;
dbo:smiles "[Ge]" ;
dbp:inchikey "InChIKey=GNPVGFCGXDBREM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ge" ;
skos:prefLabel "germanium"@nl .
csc:IOEJYZSZYUROLN-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8990 ;
dbo:casNumber "149099-81-0" , "19622-06-1" , "148-18-5" , "143189-63-3" ;
dbo:formula "C5H10NNaS2" ;
dbo:inchi "InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1" ;
dbo:iupacName "sodium diethylaminomethanedithioate"@en ;
dbo:pubchem "8990"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)[S-].[Na+]" ;
dbp:inchikey "InChIKey=IOEJYZSZYUROLN-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEDC" ;
skos:prefLabel "diethyldithiocarbamaat"@nl .
csc:VZCYOOQTPOCHFL-OWOJBTEDSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:444972 ;
dbo:casNumber "6915-18-0" , "110-17-8" , "623158-97-4" , "110-16-7" ;
dbo:formula "C4H4O4" ;
dbo:inchi "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+" ;
dbo:iupacName "But-2-enedioic acid"@en ;
dbo:pubchem "444972"^^xsd:int ;
dbo:smiles "C(=CC(=O)O)C(=O)O" ;
dbp:inchikey "InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malinzr" ;
skos:prefLabel "maleïnezuur"@nl .
csc:WQYWHGOKYSMVFW-ZOKDRQBOSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6440017 ;
dbo:casNumber "119791-41-2" ;
dbo:formula "C97H146O26" ;
dbo:inchi "InChI=1S/C49H74O13.C48H72O13/c1-11-26(3)44-29(6)18-19-48(62-44)24-36-22-35(61-48)17-16-28(5)43(27(4)14-13-15-34-25-55-46-41(50)30(7)20-37(47(52)58-36)49(34,46)53)59-39-21-33(12-2)45(32(9)57-39)60-40-23-38(54-10)42(51)31(8)56-40;1-11-32-20-38(56-31(9)44(32)59-39-22-37(53-10)41(50)30(8)55-39)58-43-26(4)13-12-14-33-24-54-45-40(49)29(7)19-36(48(33,45)52)46(51)57-35-21-34(16-15-27(43)5)60-47(23-35)18-17-28(6)42(61-47)25(2)3/h13-16,18-20,26-27,29,31-33,35-46,50-51,53H,11-12,17,21-25H2,1-10H3;12-15,17-19,25-26,28,30-32,34-45,49-50,52H,11,16,20-24H2,1-10H3/b14-13+,28-16+,34-15+;13-12+,27-15+,33-14+/t26-,27-,29-,31-,32-,33-,35+,36-,37-,38-,39-,40-,41+,42-,43-,44+,45-,46+,48+,49+;26-,28-,30-,31-,32-,34+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44-,45+,47+,48+/m00/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6440017"^^xsd:int ;
dbo:smiles "CCC1CC(OC(C1OC2CC(C(C(O2)C)O)OC)C)OC3C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)OC6CC(CC=C3C)OC7(C6)C=CC(C(O7)C(C)C)C)O)C.CCC1CC(OC(C1OC2CC(C(C(O2)C)O)OC)C)OC3C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)OC6CC(CC=C3C)OC7(C6)C=CC(C(O7)C(C)CC)C)O)C" ;
dbp:inchikey "InChIKey=WQYWHGOKYSMVFW-ZOKDRQBOSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emmtn" ;
skos:prefLabel "emamectin"@nl .
csc:XAHBEACGJQDUPF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61115 ;
dbo:casNumber "431-86-7" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(2(5,6)7)3(8,9)10/h1H" ;
dbo:iupacName "1,2-DICHLORO-1,1,3,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61115"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(C(F)(F)Cl)Cl" ;
dbp:inchikey "InChIKey=XAHBEACGJQDUPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225da" ;
skos:prefLabel "1,2-dichloor-1,1,3,3,3-pentafluorpropaan"@nl .
csc:SEPIRJBAIBYOSG-IGVRTFPHSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5359674 ;
dbo:casNumber "2013-58-3" ;
dbo:formula "C22H21ClN2O8" ;
dbo:inchi "InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,32-33H,1,24H2,2-3H3/b21-13+/t10-,14-,15+,17+,22+/m1/s1" ;
dbo:iupacName "(2E,4S,4aR,5S,5aR,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione"@en ;
dbo:pubchem "5359674"^^xsd:int ;
dbo:smiles "CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)Cl)O" ;
dbp:inchikey "InChIKey=SEPIRJBAIBYOSG-IGVRTFPHSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecccne" ;
skos:prefLabel "meclocycline"@nl .
csc:NIPDVSLAMPAWTP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7447 ;
dbo:casNumber "99-59-2" , "52756-54-4" ;
dbo:formula "C7H8N2O3" ;
dbo:inchi "InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methoxy-5-nitroaniline"@en ;
dbo:pubchem "7447"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=NIPDVSLAMPAWTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5NO2oansdne" ;
skos:prefLabel "5-nitro-ortho-anisidine"@nl .
csc:LLLFASISUZUJEQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36867 ;
dbo:casNumber "34622-58-7" ;
dbo:formula "C12H16ClNOS" ;
dbo:inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "S-[(2-chlorophenyl)methyl] diethylaminomethanethioate"@en ;
dbo:pubchem "36867"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)SCC1=CC=CC=C1Cl" ;
dbp:inchikey "InChIKey=LLLFASISUZUJEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orbcb" ;
skos:prefLabel "orbencarb"@nl .
csc:RUETVLNXAGWCDS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:123504 ;
dbo:casNumber "42019-78-3" ;
dbo:formula "C13H9ClO2" ;
dbo:inchi "InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H" ;
dbo:iupacName "(4-chlorophenyl)-(4-hydroxyphenyl)methanone"@en ;
dbo:pubchem "123504"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=RUETVLNXAGWCDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl4HOxbzfnn" ;
skos:prefLabel "4-chloor-4'-hydroxybenzofenon"@nl .
csc:PJMPHNIQZUBGLI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3345 ;
dbo:casNumber "437-38-7" , "80832-90-2" ;
dbo:formula "C22H28N2O" ;
dbo:inchi "InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3" ;
dbo:iupacName "N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide"@en ;
dbo:pubchem "3345"^^xsd:int ;
dbo:smiles "CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000372 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentnl" ;
skos:prefLabel "fentanyl"@nl .
csc:PEGCITODQASXKH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:75041 ;
dbo:casNumber "2129-89-7" ;
dbo:formula "C13H13OP" ;
dbo:inchi "InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3" ;
dbo:iupacName "(methyl-phenylphosphoryl)benzene"@en ;
dbo:pubchem "75041"^^xsd:int ;
dbo:smiles "CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=PEGCITODQASXKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDFyPO" ;
skos:prefLabel "methyldifenylfosfineoxide"@nl .
csc:COBPKKZHLDDMTB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8923 ;
dbo:casNumber "143-22-6" ;
dbo:formula "C10H22O4" ;
dbo:inchi "InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3" ;
dbo:iupacName "2-[2-(2-Butoxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8923"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOCCO" ;
dbp:inchikey "InChIKey=COBPKKZHLDDMTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "222C4oxC2oxC" ;
skos:prefLabel "2-(2-(2-butoxyethoxy)ethoxy)ethanol"@nl .
csc:MZZBPDKVEFVLFF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30773 ;
dbo:casNumber "21725-46-2" , "11096-88-1" , "12679-53-7" ;
dbo:formula "C9H13ClN6" ;
dbo:inchi "InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile"@en ;
dbo:pubchem "30773"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N" ;
dbp:inchikey "InChIKey=MZZBPDKVEFVLFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_21725-46-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNazne" ;
skos:prefLabel "cyanazine"@nl ;
vcs:vmmParameterId "270"^^xsd:int .
csc:HFBWPRKWDIRYNX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15951 ;
dbo:casNumber "1912-26-1" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)" ;
dbo:iupacName "6-Chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "15951"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)N(CC)CC" ;
dbp:inchikey "InChIKey=HFBWPRKWDIRYNX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tetzne" ;
skos:prefLabel "trietazine"@nl .
csc:CHEMONTID_0000403
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000403 ;
skos:definition "Organic compounds containing the sulfuric acid or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000403" ;
skos:prefLabel "Organic sulfuric acids and derivatives"@en .
csc:CZIHNRWJTSTCEX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5897 ;
dbo:casNumber "2508-21-6" , "53-96-3" ;
dbo:formula "C15H13NO" ;
dbo:inchi "InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)" ;
dbo:iupacName "N-(9H-Fluoren-2-yl)acetamide"@en ;
dbo:pubchem "5897"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2" ;
dbp:inchikey "InChIKey=CZIHNRWJTSTCEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2actAoFle" ;
skos:prefLabel "2-acetylaminofluoreen"@nl .
csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31200 ;
dbo:casNumber "12764-87-3" , "54182-70-6" , "122-14-5" , "94650-98-3" ;
dbo:formula "C9H12NO5PS" ;
dbo:inchi "InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "31200"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ZNOLGFHPUIJIMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_122-14-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "feNO2ton" ;
skos:prefLabel "fenitrothion"@nl ;
vcs:vmmParameterId "399"^^xsd:int .
csc:SECXISVLQFMRJM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:13387 ;
dbo:casNumber "53774-35-9" , "57762-46-6" , "51013-18-4" , "30207-69-3" , "872-50-4" , "26138-58-9" ;
dbo:formula "C5H9NO" ;
dbo:inchi "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" ;
dbo:iupacName "1-methylpyrrolidin-2-one"@en ;
dbo:pubchem "13387"^^xsd:int ;
dbo:smiles "CN1CCCC1=O" ;
dbp:inchikey "InChIKey=SECXISVLQFMRJM-UHFFFAOYSA-N" ;
skos:altLabel "N-methylpyrrolidon "@nl , "n-methylpyrrolidon"@nl ;
skos:broader csc:CHEMONTID_0003449 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y2prldnn" ;
skos:prefLabel "1-methyl-2-pyrrolidinon"@nl .
csc:OQMBBFQZGJFLBU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39327 ;
dbo:casNumber "42874-03-3" ;
dbo:formula "C15H11ClF3NO4" ;
dbo:inchi "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3" ;
dbo:iupacName "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethoxy-1-nitrobenzene"@en ;
dbo:pubchem "39327"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=OQMBBFQZGJFLBU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxFfn" ;
skos:prefLabel "oxyfluorfen"@nl .
csc:BGRWYDHXPHLNKA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66347 ;
dbo:casNumber "10543-57-4" ;
dbo:formula "C10H16N2O4" ;
dbo:inchi "InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3" ;
dbo:iupacName "N-acetyl-N-[2-(diacetylamino)ethyl]acetamide"@en ;
dbo:pubchem "66347"^^xsd:int ;
dbo:smiles "CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C" ;
dbp:inchikey "InChIKey=BGRWYDHXPHLNKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001658 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TAED" ;
skos:prefLabel "tetraacetylethyleendiamine"@nl .
csc:RUIFULUFLANOCI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12067 ;
dbo:casNumber "618-85-9" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "1-Methyl-3,5-dinitrobenzene"@en ;
dbo:pubchem "12067"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RUIFULUFLANOCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2Tol" ;
skos:prefLabel "3,5-dinitrotolueen"@nl .
csc:MRBKEAMVRSLQPH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8456 ;
dbo:casNumber "921-00-6" , "1341-82-8" , "121-00-6" , "25013-16-5" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3" ;
dbo:iupacName "2-tert-Butyl-4-methoxyphenol"@en ;
dbo:pubchem "8456"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=C(C=CC(=C1)OC)O" ;
dbp:inchikey "InChIKey=MRBKEAMVRSLQPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000190 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ttC4y4C1oxF" ;
skos:prefLabel "2-tert-butyl-4-methoxyfenol"@nl .
csc:CHEMONTID_0002772
skos:narrower csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N , csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N , csc:SWFNPENEBHAHEB-UHFFFAOYSA-N , csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N , csc:LINPIYWFGCPVIE-UHFFFAOYSA-N , csc:LHJGJYXLEPZJPM-UHFFFAOYSA-N , csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N , csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N , csc:GBNHEBQXJVDXSW-UHFFFAOYSA-N .
csc:CHEMONTID_0004521
skos:narrower csc:UGCSPKPEHQEOSR-UHFFFAOYSA-N , csc:RFCAUADVODFSLZ-UHFFFAOYSA-N , csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N , csc:DDMOUSALMHHKOS-UHFFFAOYSA-N , csc:CYRMSUTZVYGINF-UHFFFAOYSA-N , csc:AJDIZQLSFPQPEY-UHFFFAOYSA-N , csc:AFYPFACVUDMOHA-UHFFFAOYSA-N .
csc:QGPQTSCLUYMZHL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61560 ;
dbo:casNumber "12259-21-1" , "1309-37-1" ;
dbo:formula "Fe2H2O4" ;
dbo:inchi "InChI=1S/2Fe.H2O.3O/h;;1H2;;;/q2*+3;;3*-2" ;
dbo:iupacName "iron(+3) cation; oxygen(-2) anion; hydrate"@en ;
dbo:pubchem "61560"^^xsd:int ;
dbo:smiles "O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]" ;
dbp:inchikey "InChIKey=QGPQTSCLUYMZHL-UHFFFAOYSA-N" ;
skos:altLabel "ijzer(III)oxide"@nl ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeIIIO" ;
skos:prefLabel "ijzer(iii)oxide"@nl .
csc:WUAPFZMCVAUBPE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23947 ;
dbo:casNumber "7440-15-5" , "22541-28-2" ;
dbo:formula "Re" ;
dbo:inchi "InChI=1S/Re" ;
dbo:iupacName "RHENIUM"@en ;
dbo:pubchem "23947"^^xsd:int ;
dbo:smiles "[Re]" ;
dbp:inchikey "InChIKey=WUAPFZMCVAUBPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Re" ;
skos:prefLabel "renium"@nl .
csc:URLKBWYHVLBVBO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl ;
rdfs:seeAlso compound:7809 ;
dbo:casNumber "68411-39-2" , "106-42-3" , "68650-36-2" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3" ;
dbo:iupacName "1,4-Dimethylbenzene"@en ;
dbo:pubchem "7809"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C" ;
dbp:inchikey "InChIKey=URLKBWYHVLBVBO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_001 , co:LUC_IV_011 ;
skos:altLabel "1,4-xyleen"@nl , "p-xyleen"@nl ;
skos:broader csc:CHEMONTID_0004211 ;
skos:exactMatch wise:CAS_106-42-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14xyln" ;
skos:prefLabel "para-xyleen"@nl ;
vcs:vmmParameterId "220"^^xsd:int .
csc:NIIPNAJXERMYOG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:43369 ;
dbo:casNumber "1741-01-1" ;
dbo:formula "C3H10N2" ;
dbo:inchi "InChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3" ;
dbo:iupacName "1,1,2-trimethylhydrazine"@en ;
dbo:pubchem "43369"^^xsd:int ;
dbo:smiles "CNN(C)C" ;
dbp:inchikey "InChIKey=NIIPNAJXERMYOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yhdzne" ;
skos:prefLabel "trimethylhydrazine"@nl .
csc:CHEMONTID_0001062
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001062 ;
skos:definition "Inorganic non-metallic compoundscontaining a nitrate as its largest oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N , csc:GRYLNZFGIOXLOG-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001062" ;
skos:prefLabel "Non-metal nitrates"@en .
csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7158 ;
dbo:casNumber "93-72-1" , "32795-97-4" , "7361-37-7" ;
dbo:formula "C9H7Cl3O3" ;
dbo:inchi "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)" ;
dbo:iupacName "2-(2,4,5-trichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "7158"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZLSWBLPERHFHIS-UHFFFAOYSA-N" ;
skos:altLabel "2,4,5-trichloorfenoxypropionzuur"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_93-72-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TP" ;
skos:prefLabel "fenoprop"@nl ;
vcs:vmmParameterId "1002"^^xsd:int .
csc:CHEMONTID_0000461
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000461 ;
skos:definition "Inorganic compounds belonging to either the alkaline earth metal hydrides, alkaline earth metal nitrides, alkaline earth metal oxides, alkaline earth metal sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000461" ;
skos:prefLabel "Transition metal organides"@en .
csc:QHRSESMSOJZMCO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18774 ;
dbo:casNumber "3347-62-4" ;
dbo:formula "C10H10N2" ;
dbo:inchi "InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)" ;
dbo:iupacName "3-methyl-5-phenyl-2H-pyrazole"@en ;
dbo:pubchem "18774"^^xsd:int ;
dbo:smiles "CC1=CC(=NN1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=QHRSESMSOJZMCO-UHFFFAOYSA-N" ;
skos:altLabel "3-methyl-5-fenyl-1H-pyrazol"@nl ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y5Fy1Hprz" ;
skos:prefLabel "3-methyl-5-fenyl-1h-pyrazol"@nl .
csc:CHEMONTID_0004436
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004436 ;
skos:definition "Organometallic compounds hat containing a metal atom substituted by on or more alkyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004436" ;
skos:prefLabel "Metal alkyls"@en .
csc:ATLMFJTZZPOKLC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16131935 ;
dbo:casNumber "115383-22-7" ;
dbo:formula "C70" ;
dbo:inchi "InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64" ;
dbo:iupacName "(C70-D5h(6))[5,6]fullerene"@en ;
dbo:pubchem "16131935"^^xsd:int ;
dbo:smiles "C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27" ;
dbp:inchikey "InChIKey=ATLMFJTZZPOKLC-UHFFFAOYSA-N" ;
skos:altLabel "fullereen C70"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fullrnC70" ;
skos:prefLabel "fullereen c70"@nl .
csc:CONWAEURSVPLRM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62276 ;
dbo:casNumber "77501-63-4" , "143956-87-0" , "83513-60-4" ;
dbo:formula "C19H15ClF3NO7" ;
dbo:inchi "InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3" ;
dbo:iupacName "(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "62276"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=CONWAEURSVPLRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lactfn" ;
skos:prefLabel "lactofen"@nl .
csc:CHEMONTID_0002210
skos:narrower csc:PEDCQBHIVMGVHV-UHFFFAOYSA-N .
csc:NTHXOOBQLCIOLC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3730 ;
dbo:casNumber "66108-95-0" ;
dbo:formula "C19H26I3N3O9" ;
dbo:inchi "InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)" ;
dbo:iupacName "5-(acetyl-(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3730"^^xsd:int ;
dbo:smiles "CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I" ;
dbp:inchikey "InChIKey=NTHXOOBQLCIOLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004718 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "johxl" ;
skos:prefLabel "johexol"@nl .
csc:VTQWKUZUPOTXEH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5360414 ;
dbo:casNumber "13181-17-4" ;
dbo:formula "C13H7Br2N3O6" ;
dbo:inchi "InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,16H" ;
dbo:iupacName "2,6-dibromo-4-[[(2,4-dinitrophenoxy)amino]methylidene]cyclohexa-2,5-dien-1-one"@en ;
dbo:pubchem "5360414"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br" ;
dbp:inchikey "InChIKey=VTQWKUZUPOTXEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brfnxm" ;
skos:prefLabel "broomfenoxim"@nl .
csc:STJMRWALKKWQGH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2783 ;
dbo:casNumber "37148-27-9" , "50306-03-1" , "50499-60-0" ;
dbo:formula "C12H18Cl2N2O" ;
dbo:inchi "InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3" ;
dbo:iupacName "1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol"@en ;
dbo:pubchem "2783"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O" ;
dbp:inchikey "InChIKey=STJMRWALKKWQGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clenbtrl" ;
skos:prefLabel "clenbuterol"@nl .
csc:CHEMONTID_0002608
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002608 ;
skos:definition "Alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N , csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N , csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N , csc:OSCXYTRISGREIM-UHFFFAOYSA-N , csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N , csc:SSZWWUDQMAHNAQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002608" ;
skos:prefLabel "Chlorohydrins"@en .
csc:BFGKITSFLPAWGI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27668 ;
dbo:casNumber "16065-83-1" ;
dbo:formula "Cr+3" ;
dbo:inchi "InChI=1S/Cr/q+3" ;
dbo:iupacName "chromium(+3) cation"@en ;
dbo:pubchem "27668"^^xsd:int ;
dbo:smiles "[Cr+3]" ;
dbp:inchikey "InChIKey=BFGKITSFLPAWGI-UHFFFAOYSA-N" ;
skos:altLabel "chroom (driewaardig)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CrIII" ;
skos:prefLabel "chroom, driewaardig, opgelost"@nl .
csc:HHUQPWODPBDTLI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:119361 ;
dbo:casNumber "120983-64-4" ;
dbo:formula "C14H15Cl2N3O" ;
dbo:inchi "InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2" ;
dbo:iupacName "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol"@en ;
dbo:pubchem "119361"^^xsd:int ;
dbo:smiles "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl" ;
dbp:inchikey "InChIKey=HHUQPWODPBDTLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocnzdto" ;
skos:prefLabel "prothioconazol-desthio"@nl .
csc:FBOUIAKEJMZPQG-AWNIVKPZSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436605 ;
dbo:casNumber "83657-24-3" , "101179-53-7" , "76714-88-0" , "70217-36-6" ;
dbo:formula "C15H17Cl2N3O" ;
dbo:inchi "InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+" ;
dbo:iupacName "['1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol']"@en ;
dbo:pubchem "6436605"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=FBOUIAKEJMZPQG-AWNIVKPZSA-N" ;
skos:broader csc:CHEMONTID_0002754 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dncnzl" ;
skos:prefLabel "diniconazool"@nl .
csc:WYVVKGNFXHOCQV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62097 ;
dbo:casNumber "161849-41-8" , "55406-53-6" , "104732-42-5" , "84826-91-5" , "85045-09-6" ;
dbo:formula "C8H12INO2" ;
dbo:inchi "InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)" ;
dbo:iupacName "3-iodoprop-2-ynyl N-butylcarbamate"@en ;
dbo:pubchem "62097"^^xsd:int ;
dbo:smiles "CCCCNC(=O)OCC#CI" ;
dbp:inchikey "InChIKey=WYVVKGNFXHOCQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IppnC4ycbmt" ;
skos:prefLabel "joodpropynylbutylcarbamaat"@nl .
csc:UVCJGUGAGLDPAA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33919 ;
dbo:casNumber "27503-81-7" , "165659-93-8" ;
dbo:formula "C13H10N2O3S" ;
dbo:inchi "InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)" ;
dbo:iupacName "2-phenyl-3H-benzimidazole-5-sulfonic acid"@en ;
dbo:pubchem "33919"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=UVCJGUGAGLDPAA-UHFFFAOYSA-N" ;
skos:altLabel "2-fenyl-1H-benzimidazol-5-sulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0000330 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Fy1Hbzmdz5s" ;
skos:prefLabel "2-fenyl-1h-benzimidazol-5-sulfonzuur"@nl .
csc:CHEMONTID_0001524
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001524 ;
skos:definition "Compounds containing bond between a carbon atom and a tin atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HGQSXVKHVMGQRG-UHFFFAOYSA-N , csc:BRCGUTSVMPKEKH-UHFFFAOYSA-N , csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001524" ;
skos:prefLabel "Organotin compounds"@en .
csc:CHEMONTID_0003893
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003893 ;
skos:definition "Organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = organyl group)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LHHMNJZNWUJFOC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003893" ;
skos:prefLabel "Phosphonic acid diesters"@en .
csc:XUXNAKZDHHEHPC-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24607 ;
dbo:casNumber "38869-76-0" , "7789-38-0" , "38869-75-9" ;
dbo:formula "BrNaO3" ;
dbo:inchi "InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "SODIUM BROMATE"@en ;
dbo:pubchem "24607"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O.[Na+]" ;
dbp:inchikey "InChIKey=XUXNAKZDHHEHPC-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaBrO3" ;
skos:prefLabel "natriumbromaat"@nl .
csc:TVFDJXOCXUVLDH-RNFDNDRNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5486527 ;
dbo:casNumber "10045-97-3" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1+4" ;
dbo:iupacName "cesium-137"@en ;
dbo:pubchem "5486527"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs137" ;
skos:prefLabel "cesium 137"@nl .
csc:RCINICONZNJXQF-VAZQATRQSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:441276 ;
dbo:casNumber "33069-62-4" ;
dbo:formula "C47H51NO14" ;
dbo:inchi "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1" ;
dbo:iupacName "[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"@en ;
dbo:pubchem "441276"^^xsd:int ;
dbo:smiles "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C" ;
dbp:inchikey "InChIKey=RCINICONZNJXQF-VAZQATRQSA-N" ;
skos:broader csc:CHEMONTID_0000676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pactxl" ;
skos:prefLabel "paclitaxel"@nl .
csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6537506 ;
dbo:casNumber "32536-52-0" ;
dbo:formula "C12H2Br8O" ;
dbo:inchi "InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene"@en ;
dbo:pubchem "6537506"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=ORYGKUIDIMIRNN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_32536-52-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "octabroomdifenylether"@nl ;
vcs:vmmParameterId "1461"^^xsd:int .
csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7245 ;
dbo:casNumber "95-57-8" , "25167-80-0" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H" ;
dbo:iupacName "2-Chlorophenol"@en ;
dbo:pubchem "7245"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)O)Cl" ;
dbp:inchikey "InChIKey=ISPYQTSUDJAMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:exactMatch wise:CAS_95-57-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClFol" ;
skos:prefLabel "2-chloorfenol"@nl ;
vcs:vmmParameterId "352"^^xsd:int .
csc:IMUDHTPIFIBORV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8795 ;
dbo:casNumber "140-31-8" ;
dbo:formula "C6H15N3" ;
dbo:inchi "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" ;
dbo:iupacName "2-piperazin-1-ylethanamine"@en ;
dbo:pubchem "8795"^^xsd:int ;
dbo:smiles "C1CN(CCN1)CCN" ;
dbp:inchikey "InChIKey=IMUDHTPIFIBORV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoC2ypprzne" ;
skos:prefLabel "2-aminoethylpiperazine"@nl .
csc:UDHXJZHVNHGCEC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19402 ;
dbo:casNumber "3691-35-8" ;
dbo:formula "C23H15ClO3" ;
dbo:inchi "InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H" ;
dbo:iupacName "2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione"@en ;
dbo:pubchem "19402"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O" ;
dbp:inchikey "InChIKey=UDHXJZHVNHGCEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clfcnn" ;
skos:prefLabel "chloorfacinon"@nl .
csc:STRTXDFFNXSZQB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21917771 ;
dbo:casNumber "156-62-7" ;
dbo:formula "CH2CaN2+2" ;
dbo:inchi "InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2" ;
dbo:iupacName "CALCIUM CYANAMIDE"@en ;
dbo:pubchem "21917771"^^xsd:int ;
dbo:smiles "C(#N)N.[Ca+2]" ;
dbp:inchikey "InChIKey=STRTXDFFNXSZQB-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CacaAd" ;
skos:prefLabel "calciumcyanamide"@nl .
csc:LFNLGNPSGWYGGD-OUBTZVSYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167422 ;
dbo:casNumber "15766-25-3" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+1" ;
dbo:iupacName "neptunium-238"@en ;
dbo:pubchem "167422"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "InChIKey=LFNLGNPSGWYGGD-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np238" ;
skos:prefLabel "neptunium 238"@nl .
csc:GWHCXVQVJPWHRF-KTKRTIGZSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281120 ;
dbo:casNumber "506-37-6" ;
dbo:formula "C24H46O2" ;
dbo:inchi "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-" ;
dbo:iupacName "(Z)-tetracos-15-enoic acid"@en ;
dbo:pubchem "5281120"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=GWHCXVQVJPWHRF-KTKRTIGZSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c15C24ezr" ;
skos:prefLabel "cis-15-tetracoseenzuur"@nl .
csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3035 ;
dbo:casNumber "72-55-9" , "12002-54-9" , "68679-99-2" ;
dbo:formula "C14H8Cl4" ;
dbo:inchi "InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene"@en ;
dbo:pubchem "3035"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=UCNVFOCBFJOQAL-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-dichloordifenyldichlooretheen"@nl , "p,p’-dde"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-55-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DDE" ;
skos:prefLabel "pp'dichloordifenyldichlooretheen"@nl ;
vcs:vmmParameterId "262"^^xsd:int .
csc:OZVBMTJYIDMWIL-AYFBDAFISA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31101 ;
dbo:casNumber "25614-03-3" ;
dbo:formula "C32H40BrN5O5" ;
dbo:inchi "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1" ;
dbo:iupacName "(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"@en ;
dbo:pubchem "31101"^^xsd:int ;
dbo:smiles "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O" ;
dbp:inchikey "InChIKey=OZVBMTJYIDMWIL-AYFBDAFISA-N" ;
skos:broader csc:CHEMONTID_0002746 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brctne" ;
skos:prefLabel "bromocriptine"@nl .
csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23978 ;
dbo:casNumber "133353-47-6" , "72514-83-1" , "65555-90-0" , "133353-46-5" , "195161-80-9" , "7440-50-8" ;
dbo:formula "Cu" ;
dbo:inchi "InChI=1S/Cu" ;
dbo:iupacName "Copper"@en ;
dbo:pubchem "23978"^^xsd:int ;
dbo:smiles "[Cu]" ;
dbp:inchikey "InChIKey=RYGMFSIKBFXOCR-UHFFFAOYSA-N" ;
skos:altLabel "koper"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-50-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cu" ;
skos:prefLabel "koper, opgelost"@nl ;
vcs:vmmParameterId "165"^^xsd:int , "163"^^xsd:int , "164"^^xsd:int , "1931"^^xsd:int .
csc:CHEMONTID_0000355
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000355 ;
skos:definition "Aromatic compounds containing a prop-2-ylbenzene moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UNEATYXSUBPPKP-UHFFFAOYSA-N , csc:VUMCUSHVMYIRMB-UHFFFAOYSA-N , csc:WWRCMNKATXZARA-UHFFFAOYSA-N , csc:CRBJBYGJVIBWIY-UHFFFAOYSA-N , csc:YQUQWHNMBPIWGK-UHFFFAOYSA-N , csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N , csc:OLBCVFGFOZPWHH-UHFFFAOYSA-N , csc:LRTFPLFDLJYEKT-UHFFFAOYSA-N , csc:XCYJPXQACVEIOS-UHFFFAOYSA-N , csc:VLJSLTNSFSOYQR-UHFFFAOYSA-N , csc:QBSJMKIUCUGGNG-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000355" ;
skos:prefLabel "Cumenes"@en .
csc:ZXQYGBMAQZUVMI-UNOMPAQXSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281873 ;
dbo:casNumber "68085-85-8" ;
dbo:formula "C23H19ClF3NO3" ;
dbo:inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-" ;
dbo:iupacName "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "5281873"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C" ;
dbp:inchikey "InChIKey=ZXQYGBMAQZUVMI-UNOMPAQXSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhltn" ;
skos:prefLabel "cyhalothrin"@nl .
csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:68601 ;
dbo:casNumber "86347-15-1" , "86347-14-0" ;
dbo:formula "C13H17ClN2" ;
dbo:inchi "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H" ;
dbo:iupacName "4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride"@en ;
dbo:pubchem "68601"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl" ;
dbp:inchikey "InChIKey=VPNGEIHDPSLNMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medtmdneHCl" ;
skos:prefLabel "medetomidine hydrochloride"@nl .
csc:KVGLBTYUCJYMND-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13676 ;
dbo:casNumber "944-22-9" , "66767-39-3" ;
dbo:formula "C10H15OPS2" ;
dbo:inchi "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" ;
dbo:iupacName "ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "13676"^^xsd:int ;
dbo:smiles "CCOP(=S)(CC)SC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=KVGLBTYUCJYMND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_944-22-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fonfs" ;
skos:prefLabel "fonofos"@nl ;
vcs:vmmParameterId "805"^^xsd:int .
csc:FAPWRFPIFSIZLT-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5234 ;
dbo:casNumber "8028-77-1" , "32343-72-9" , "11062-32-1" , "14762-51-7" , "14784-90-8" , "7647-14-5" , "11062-43-4" ;
dbo:formula "ClNa" ;
dbo:inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" ;
dbo:iupacName "Sodium chloride"@en ;
dbo:pubchem "5234"^^xsd:int ;
dbo:smiles "[Na+].[Cl-]" ;
dbp:inchikey "InChIKey=FAPWRFPIFSIZLT-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaCl" ;
skos:prefLabel "natriumchloride"@nl .
csc:VIONGDJUYAYOPU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:119688 ;
dbo:casNumber "27619-97-2" ;
dbo:formula "C8H5F13O3S" ;
dbo:inchi "InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid"@en ;
dbo:pubchem "119688"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=VIONGDJUYAYOPU-UHFFFAOYSA-N" ;
skos:altLabel "6:2 fluortelomeersulfonzuur (6:2 fts)"@nl , "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)"@nl , "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)"@nl , "6:2 fluortelomeersulfonzuur"@nl , "1H,1H,2H,2H-perfluorooctaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2PFC6yC2a1sf" ;
skos:prefLabel "1h,1h,2h,2h-perfluorooctaansulfonzuur"@nl .
csc:YPFDHNVEDLHUCE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10442 ;
dbo:casNumber "757125-93-2" , "504-63-2" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" ;
dbo:iupacName "Propane-1,3-diol"@en ;
dbo:pubchem "10442"^^xsd:int ;
dbo:smiles "C(CO)CO" ;
dbp:inchikey "InChIKey=YPFDHNVEDLHUCE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yegcl" ;
skos:prefLabel "trimethyleenglycol (1,3-propyleenglycol)"@nl .
csc:IUTPYMGCWINGEY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:35823 ;
dbo:casNumber "31508-00-6" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "35823"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IUTPYMGCWINGEY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 118"@nl , "2,3',4,4',5-pentachloorbifenyl (pcb118)"@nl , "pcb 118"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_31508-00-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB118" ;
skos:prefLabel "2,3',4,4',5-pentachloorbifenyl"@nl ;
vcs:vmmParameterId "1413"^^xsd:int , "442"^^xsd:int .
csc:ILKJAFIWWBXGDU-WRRBAOOESA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39858 ;
dbo:casNumber "51022-69-6" ;
dbo:formula "C28H35FO7" ;
dbo:inchi "InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19?,20-,21-,23+,24?,25?,27-,28+/m0/s1" ;
dbo:iupacName "[2-[(2S,4R,8S,11S,12R)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate"@en ;
dbo:pubchem "39858"^^xsd:int ;
dbo:smiles "CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6" ;
dbp:inchikey "InChIKey=ILKJAFIWWBXGDU-WRRBAOOESA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amcnnde" ;
skos:prefLabel "amcinonide"@nl .
csc:HOMGKSMUEGBAAB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3690 ;
dbo:casNumber "84711-20-6" , "66849-34-1" , "36341-88-5" , "66849-33-0" , "3778-73-2" ;
dbo:formula "C7H15Cl2N2O2P" ;
dbo:inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)" ;
dbo:iupacName "['(2S)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', '(2R)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine']"@en ;
dbo:pubchem "3690"^^xsd:int ;
dbo:smiles "C1CN(P(=O)(OC1)NCCCl)CCCl" ;
dbp:inchikey "InChIKey=HOMGKSMUEGBAAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iffAd" ;
skos:prefLabel "ifosfamide"@nl .
csc:CHEMONTID_0002019
skos:narrower csc:HZRSNVGNWUDEFX-UHFFFAOYSA-N , csc:ZOCSXAVNDGMNBV-UHFFFAOYSA-N , csc:PXWLVJLKJGVOKE-UHFFFAOYSA-N , csc:MGOHCFMYLBAPRN-UHFFFAOYSA-N , csc:LGHZJDKSVUTELU-UHFFFAOYSA-N , csc:RLFWWDJHLFCNIJ-UHFFFAOYSA-N , csc:APTZNLHMIGJTEW-UHFFFAOYSA-N , csc:WSJBSKRPKADYRQ-UHFFFAOYSA-N , csc:RMMXTBMQSGEXHJ-UHFFFAOYSA-N , csc:QHGVXILFMXYDRS-UHFFFAOYSA-N , csc:VEQOALNAAJBPNY-UHFFFAOYSA-N , csc:LBGPXIPGGRQBJW-UHFFFAOYSA-N , csc:OIAGWXKSCXPNNZ-UHFFFAOYSA-N , csc:QHRSESMSOJZMCO-UHFFFAOYSA-N , csc:FKLQIONHGSFYJY-UHFFFAOYSA-N .
csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6560 ;
dbo:casNumber "68989-27-5" , "78-83-1" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-Methylpropan-1-ol"@en ;
dbo:pubchem "6560"^^xsd:int ;
dbo:smiles "CC(C)CO" ;
dbp:inchikey "InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_009 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:altLabel "2-methylpropanol (iso-butanol)"@nl ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC3ol" ;
skos:prefLabel "isobutanol"@nl .
csc:LINPIYWFGCPVIE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6914 ;
dbo:casNumber "88-06-2" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" ;
dbo:iupacName "2,4,6-Trichlorophenol"@en ;
dbo:pubchem "6914"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)O)Cl)Cl" ;
dbp:inchikey "InChIKey=LINPIYWFGCPVIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_88-06-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TClFol" ;
skos:prefLabel "2,4,6-trichloorfenol"@nl ;
vcs:vmmParameterId "345"^^xsd:int .
csc:DNTGGZPQPQTDQF-XBXARRHUSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:688020 ;
dbo:casNumber "483-63-6" ;
dbo:formula "C13H17NO" ;
dbo:inchi "InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+" ;
dbo:iupacName "['(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide', 'N-ethyl-N-(2-methylphenyl)but-2-enamide']"@en ;
dbo:pubchem "688020"^^xsd:int ;
dbo:smiles "CCN(C1=CC=CC=C1C)C(=O)C=CC" ;
dbp:inchikey "InChIKey=DNTGGZPQPQTDQF-XBXARRHUSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crotmtn" ;
skos:prefLabel "crotamiton"@nl .
csc:ICBJCVRQDSQPGI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:78484 ;
dbo:casNumber "4747-07-3" ;
dbo:formula "C7H16O" ;
dbo:inchi "InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3" ;
dbo:iupacName "1-Methoxyhexane"@en ;
dbo:pubchem "78484"^^xsd:int ;
dbo:smiles "CCCCCCOC" ;
dbp:inchikey "InChIKey=ICBJCVRQDSQPGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1oxC6a" ;
skos:prefLabel "1-methoxyhexaan"@nl .
csc:XJDNKRIXUMDJCW-UHFFFAOYSA-J
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24193 ;
dbo:casNumber "11130-18-0" , "7550-45-0" , "44246-22-2" , "15612-71-2" , "7705-07-9" ;
dbo:formula "Cl4Ti" ;
dbo:inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" ;
dbo:iupacName "['titanium(+4) cation tetrachloride', 'Tetrachlorotitanium']"@en ;
dbo:pubchem "24193"^^xsd:int ;
dbo:smiles "Cl[Ti](Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=XJDNKRIXUMDJCW-UHFFFAOYSA-J" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TiT4Cl" ;
skos:prefLabel "titaantetrachloride"@nl .
csc:PJSFRIWCGOHTNF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17134 ;
dbo:casNumber "2447-57-6" ;
dbo:formula "C12H14N4O4S" ;
dbo:inchi "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" ;
dbo:iupacName "4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide"@en ;
dbo:pubchem "17134"^^xsd:int ;
dbo:smiles "COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=PJSFRIWCGOHTNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdxne" ;
skos:prefLabel "sulfadoxine"@nl .
csc:OWUZCVPRFKSBRG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91748 ;
dbo:casNumber "90035-08-8" ;
dbo:formula "C33H25F3O4" ;
dbo:inchi "InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,38H,17-19H2" ;
dbo:iupacName "2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one"@en ;
dbo:pubchem "91748"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F" ;
dbp:inchikey "InChIKey=OWUZCVPRFKSBRG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flocmfn" ;
skos:prefLabel "flocoumafen"@nl .
csc:CHEMONTID_0004309
skos:narrower csc:SPJOZZSIXXJYBT-UHFFFAOYSA-N , csc:RZXLPPRPEOUENN-UHFFFAOYSA-N , csc:NIKBCKTWWPVAIC-UHFFFAOYSA-N , csc:LZIPBJBQQPZLOR-UHFFFAOYSA-N .
csc:MFXAFJHONPALGF-UHFFFAOYSA-J
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16205018 ;
dbo:casNumber "22397-58-6" , "151-41-7" ;
dbo:formula "C12H26O8S2Zn-2" ;
dbo:inchi "InChI=1S/C12H26.2H2O4S.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4;/h3-12H2,1-2H3;2*(H2,1,2,3,4);/q;;;+2/p-4" ;
dbo:iupacName "zinc dodecane disulfate"@en ;
dbo:pubchem "16205018"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+2]" ;
dbp:inchikey "InChIKey=MFXAFJHONPALGF-UHFFFAOYSA-J" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12ySO4" ;
skos:prefLabel "laurylsulfaat"@nl .
csc:FZLIPJUXYLNCLC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23926 ;
dbo:casNumber "14762-71-1" , "110123-48-3" , "17643-88-8" , "7439-91-0" ;
dbo:formula "La" ;
dbo:inchi "InChI=1S/La" ;
dbo:iupacName "LANTHANUM"@en ;
dbo:pubchem "23926"^^xsd:int ;
dbo:smiles "[La]" ;
dbp:inchikey "InChIKey=FZLIPJUXYLNCLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "La" ;
skos:prefLabel "lanthaan"@nl .
csc:QXFUBAAEKCHBQY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:84788 ;
dbo:casNumber "15090-23-0" ;
dbo:formula "C4H9O4P" ;
dbo:inchi "InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)" ;
dbo:iupacName "3-(hydroxy-methylphosphoryl)propanoic acid"@en ;
dbo:pubchem "84788"^^xsd:int ;
dbo:smiles "CP(=O)(CCC(=O)O)O" ;
dbp:inchikey "InChIKey=QXFUBAAEKCHBQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yPppozr" ;
skos:prefLabel "3-(hydroxymethylfosfinoyl)propionzuur"@nl .
csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6484 ;
dbo:casNumber "1002-53-5" ;
dbo:formula "C8H18Sn" ;
dbo:inchi "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;" ;
dbo:iupacName "dibutyltin"@en ;
dbo:pubchem "6484"^^xsd:int ;
dbo:smiles "CCCC[Sn]CCCC" ;
dbp:inchikey "InChIKey=AYOHIQLKSOJJQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001524 ;
skos:exactMatch wise:CAS_1002-53-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dibutyltin"@nl ;
vcs:vmmParameterId "672"^^xsd:int .
csc:IRCMYGHHKLLGHV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33360 ;
dbo:casNumber "26225-79-6" ;
dbo:formula "C13H18O5S" ;
dbo:inchi "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3" ;
dbo:iupacName "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate"@en ;
dbo:pubchem "33360"^^xsd:int ;
dbo:smiles "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C" ;
dbp:inchikey "InChIKey=IRCMYGHHKLLGHV-UHFFFAOYSA-N" ;
skos:altLabel "ethofumesate"@nl ;
skos:broader csc:CHEMONTID_0004189 ;
skos:exactMatch wise:CAS_26225-79-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfmst" ;
skos:prefLabel "ethofumesaat"@nl ;
vcs:vmmParameterId "1021"^^xsd:int .
csc:CHEMONTID_0001476
skos:narrower csc:KGBXLFKZBHKPEV-UHFFFAOYSA-N .
csc:CHEMONTID_0004452
skos:narrower csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N , csc:ISXSCDLOGDJUNJ-UHFFFAOYSA-N , csc:GOXQRTZXKQZDDN-UHFFFAOYSA-N , csc:CQEYYJKEWSMYFG-UHFFFAOYSA-N , csc:CFVWNXQPGQOHRJ-UHFFFAOYSA-N , csc:BAPJBEWLBFYGME-UHFFFAOYSA-N .
csc:ZOKXTWBITQBERF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23932 ;
dbo:casNumber "7439-98-7" , "22541-84-0" , "16065-87-5" ;
dbo:formula "Mo" ;
dbo:inchi "InChI=1S/Mo" ;
dbo:iupacName "Molybdenum"@en ;
dbo:pubchem "23932"^^xsd:int ;
dbo:smiles "[Mo]" ;
dbp:inchikey "InChIKey=ZOKXTWBITQBERF-UHFFFAOYSA-N" ;
skos:altLabel "molybdeen, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7439-98-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mo" ;
skos:prefLabel "molybdeen"@nl ;
vcs:vmmParameterId "177"^^xsd:int , "1949"^^xsd:int , "176"^^xsd:int , "175"^^xsd:int .
csc:CLWAXFZCVYJLLM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20993 ;
dbo:casNumber "4860-03-1" ;
dbo:formula "C16H33Cl" ;
dbo:inchi "InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3" ;
dbo:iupacName "1-Chlorohexadecane"@en ;
dbo:pubchem "20993"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCl" ;
dbp:inchikey "InChIKey=CLWAXFZCVYJLLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC16a" ;
skos:prefLabel "1-chloorhexadecaan"@nl .
csc:UMNKXPULIDJLSU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6370 ;
dbo:casNumber "39289-28-6" , "75-43-4" ;
dbo:formula "CHCl2F" ;
dbo:inchi "InChI=1S/CHCl2F/c2-1(3)4/h1H" ;
dbo:iupacName "dichloro-fluoromethane"@en ;
dbo:pubchem "6370"^^xsd:int ;
dbo:smiles "C(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=UMNKXPULIDJLSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK21" ;
skos:prefLabel "dichloorfluormethaan"@nl .
csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24722 ;
dbo:casNumber "8065-48-3" , "8058-73-9" , "34624-53-8" , "8000-97-3" ;
dbo:formula "C16H38O6P2S4" ;
dbo:inchi "InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane; 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane"@en ;
dbo:pubchem "24722"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC" ;
dbp:inchikey "InChIKey=FAXIJTUDSBIMHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:exactMatch wise:CAS_8065-48-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "demeton"@nl ;
vcs:vmmParameterId "898"^^xsd:int .
csc:LOCHFZBWPCLPAN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10560 ;
dbo:casNumber "513-53-1" , "91840-99-2" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "butane-2-thiol"@en ;
dbo:pubchem "10560"^^xsd:int ;
dbo:smiles "CCC(C)S" ;
dbp:inchikey "InChIKey=LOCHFZBWPCLPAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4atol" ;
skos:prefLabel "2-butaanthiol"@nl .
csc:RIFGWPKJUGCATF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10928 ;
dbo:casNumber "52803-29-9" , "541-41-3" ;
dbo:formula "C3H5ClO2" ;
dbo:inchi "InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3" ;
dbo:iupacName "ETHYL CHLOROFORMATE"@en ;
dbo:pubchem "10928"^^xsd:int ;
dbo:smiles "CCOC(=O)Cl" ;
dbp:inchikey "InChIKey=RIFGWPKJUGCATF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yClfmt" ;
skos:prefLabel "ethyl chloorformaat"@nl .
csc:CHEMONTID_0000392
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000392 ;
skos:definition "Organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZKXDGKXYMTYWTB-UHFFFAOYSA-N , csc:YTOPFCCWCSOHFV-UHFFFAOYSA-N , csc:YNAVUWVOSKDBBP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000392" ;
skos:prefLabel "Morpholines"@en .
csc:JISACBWYRJHSMG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5859 ;
dbo:casNumber "52-85-7" ;
dbo:formula "C10H16NO5PS2" ;
dbo:inchi "InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide"@en ;
dbo:pubchem "5859"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=JISACBWYRJHSMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "famfr" ;
skos:prefLabel "famfur"@nl .
csc:NOQGZXFMHARMLW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15331 ;
dbo:casNumber "1596-84-5" , "1861-26-3" , "74913-15-8" ;
dbo:formula "C6H12N2O3" ;
dbo:inchi "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)" ;
dbo:iupacName "4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid"@en ;
dbo:pubchem "15331"^^xsd:int ;
dbo:smiles "CN(C)NC(=O)CCC(=O)O" ;
dbp:inchikey "InChIKey=NOQGZXFMHARMLW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000333 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "damnzde" ;
skos:prefLabel "daminozide"@nl .
csc:CHEMONTID_0001540
skos:narrower csc:OJZGCEDLMNSDNY-UHFFFAOYSA-N , csc:OJYGBLRPYBAHRT-OPKHMCHVSA-N .
csc:JZQKTMZYLHNFPL-BLHCBFLLSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5283349 ;
dbo:casNumber "30551-18-9" , "2363-88-4" , "25152-84-5" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+" ;
dbo:iupacName "['deca-2,4-dienal', '(2E,4E)-deca-2,4-dienal']"@en ;
dbo:pubchem "5283349"^^xsd:int ;
dbo:smiles "CCCCCC=CC=CC=O" ;
dbp:inchikey "InChIKey=JZQKTMZYLHNFPL-BLHCBFLLSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2t4tDcdeal" ;
skos:prefLabel "2-trans-4-trans-decadienal"@nl .
csc:YATIGPZCMOYEGE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37840 ;
dbo:casNumber "59764-36-2" , "37853-59-1" ;
dbo:formula "C14H8Br6O2" ;
dbo:inchi "InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2" ;
dbo:iupacName "1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene"@en ;
dbo:pubchem "37840"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=YATIGPZCMOYEGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "bis(tribroomfenoxy)-ethaan"@nl .
csc:RYFZYYUIAZYQLC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11666 ;
dbo:casNumber "20434-91-7" , "594-42-3" ;
dbo:formula "CCl4S" ;
dbo:inchi "InChI=1S/CCl4S/c2-1(3,4)6-5" ;
dbo:iupacName "trichloromethyl thiohypochlorite"@en ;
dbo:pubchem "11666"^^xsd:int ;
dbo:smiles "C(SCl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=RYFZYYUIAZYQLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perClC1ymctn" ;
skos:prefLabel "perchloormethylmercaptan"@nl .
csc:KJTLSVCANCCWHF-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104749 ;
dbo:casNumber "13968-53-1" ;
dbo:formula "Ru" ;
dbo:inchi "InChI=1S/Ru/i1+2" ;
dbo:iupacName "ruthenium-103"@en ;
dbo:pubchem "104749"^^xsd:int ;
dbo:smiles "[Ru]" ;
dbp:inchikey "InChIKey=KJTLSVCANCCWHF-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ru103" ;
skos:prefLabel "ruthenium 103"@nl .
csc:IYZWUWBAFUBNCH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36342 ;
dbo:casNumber "33146-45-1" ;
dbo:formula "C12H8Cl2" ;
dbo:inchi "InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H" ;
dbo:iupacName "1,3-dichloro-2-phenylbenzene"@en ;
dbo:pubchem "36342"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl" ;
dbp:inchikey "InChIKey=IYZWUWBAFUBNCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB10" ;
skos:prefLabel "2,6-dichloorbifenyl"@nl .
csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13618 ;
dbo:casNumber "933-75-5" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H" ;
dbo:iupacName "2,3,6-TRICHLOROPHENOL"@en ;
dbo:pubchem "13618"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)O)Cl)Cl" ;
dbp:inchikey "InChIKey=XGCHAIDDPMFRLJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:exactMatch wise:CAS_933-75-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TClFol" ;
skos:prefLabel "2,3,6-trichloorfenol"@nl ;
vcs:vmmParameterId "340"^^xsd:int .
csc:SUJUOAZFECLBOA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12411 ;
dbo:casNumber "630-05-7" ;
dbo:formula "C33H68" ;
dbo:inchi "InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3" ;
dbo:iupacName "Tritriacontane"@en ;
dbo:pubchem "12411"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=SUJUOAZFECLBOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C33a" ;
skos:prefLabel "tritriacontaan"@nl .
csc:MTBYTWZDRVOMBR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13428 ;
dbo:casNumber "879-39-0" ;
dbo:formula "C6HCl4NO2" ;
dbo:inchi "InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H" ;
dbo:iupacName "1,2,3,4-Tetrachloro-5-nitrobenzene"@en ;
dbo:pubchem "13428"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=MTBYTWZDRVOMBR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,3,4,5-tetrachloornitrobenzeen"@nl .
csc:CHEMONTID_0001455
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001455 ;
skos:definition "Polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001455" ;
skos:prefLabel "Tetrapyrroles and derivatives"@en .
csc:ZKHQWZAMYRWXGA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:238 ;
dbo:casNumber "56-65-5" ;
dbo:formula "C10H16N5O13P3" ;
dbo:inchi "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)" ;
dbo:iupacName "[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"@en ;
dbo:pubchem "238"^^xsd:int ;
dbo:smiles "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N" ;
dbp:inchikey "InChIKey=ZKHQWZAMYRWXGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATP" ;
skos:prefLabel "adenosine-trifosfaat"@nl .
csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:37270 ;
dbo:casNumber "35822-46-9" ;
dbo:formula "C12HCl7O2" ;
dbo:inchi "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H" ;
dbo:iupacName "1,2,3,4,6,7,8-heptachlorooxanthrene"@en ;
dbo:pubchem "37270"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WCLNVRQZUKYVAI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,6,7,8-heptachloordibenzodioxine"@nl , "1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine"@nl , " 1,2,3,4,6,7,8-heptachloordibenzodioxine"@nl , "1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_35822-46-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD73" ;
skos:prefLabel "1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine"@nl ;
vcs:vmmParameterId "1251"^^xsd:int .
csc:VBLXCTYLWZJBKA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6922 ;
dbo:casNumber "88-17-5" ;
dbo:formula "C7H6F3N" ;
dbo:inchi "InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2" ;
dbo:iupacName "2-(Trifluoromethyl)aniline"@en ;
dbo:pubchem "6922"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(F)(F)F)N" ;
dbp:inchikey "InChIKey=VBLXCTYLWZJBKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2TFC1yAn" ;
skos:prefLabel "2-trifluormethylaniline"@nl .
csc:SLXKOJJOQWFEFD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:564 ;
dbo:casNumber "87867-96-7" , "93208-38-9" , "60-32-2" , "1319-82-0" ;
dbo:formula "C6H13NO2" ;
dbo:inchi "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)" ;
dbo:iupacName "6-aminohexanoic acid"@en ;
dbo:pubchem "564"^^xsd:int ;
dbo:smiles "C(CCC(=O)O)CCN" ;
dbp:inchikey "InChIKey=SLXKOJJOQWFEFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6AoC6azr" ;
skos:prefLabel "6-aminohexaanzuur"@nl .
csc:YWKJNRNSJKEFMK-KJXIDEHUSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9571084 ;
dbo:casNumber "84957-30-2" ;
dbo:formula "C23H24N6O5S2" ;
dbo:inchi "InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16+/t17-,21-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "9571084"^^xsd:int ;
dbo:smiles "CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]" ;
dbp:inchikey "InChIKey=YWKJNRNSJKEFMK-KJXIDEHUSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefquinome"@nl .
csc:MCCACAIVAXEFAL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68553 ;
dbo:casNumber "22832-87-7" , "75319-48-1" ;
dbo:formula "C18H15Cl4N3O4" ;
dbo:inchi "InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid"@en ;
dbo:pubchem "68553"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]" ;
dbp:inchikey "InChIKey=MCCACAIVAXEFAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "micnzNO3" ;
skos:prefLabel "miconazolnitraat"@nl .
csc:WZHHYIOUKQNLQM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12442 ;
dbo:casNumber "632-58-6" , "110471-67-5" ;
dbo:formula "C8H2Cl4O4" ;
dbo:inchi "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)" ;
dbo:iupacName "3,4,5,6-tetrachlorophthalic acid"@en ;
dbo:pubchem "12442"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O" ;
dbp:inchikey "InChIKey=WZHHYIOUKQNLQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tT4ClFtzr" ;
skos:prefLabel "tetrachloorftaalzuur"@nl .
csc:LJBNHONKIDIOPD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:187696 ;
dbo:casNumber "89197-69-3" ;
dbo:formula "C12H27O5P" ;
dbo:inchi "InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3" ;
dbo:iupacName "dibutyl 3-hydroxybutyl phosphate"@en ;
dbo:pubchem "187696"^^xsd:int ;
dbo:smiles "CCCCOP(=O)(OCCCC)OCCC(C)O" ;
dbp:inchikey "InChIKey=LJBNHONKIDIOPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4y3OHC4yPO" ;
skos:prefLabel "dibutyl-3-hydroxybutylfosfaat"@nl .
csc:FYFDQJRXFWGIBS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7492 ;
dbo:casNumber "100-25-4" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H" ;
dbo:iupacName "1,4-Dinitrobenzene"@en ;
dbo:pubchem "7492"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=FYFDQJRXFWGIBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DNO2Ben" ;
skos:prefLabel "1,4-dinitrobenzeen"@nl .
csc:CHEMONTID_0000286
skos:narrower csc:AMQJEAYHLZJPGS-UHFFFAOYSA-N , csc:OKKJLVBELUTLKV-UHFFFAOYSA-N , csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N , csc:YPFDHNVEDLHUCE-UHFFFAOYSA-N , csc:LRHPLDYGYMQRHN-UHFFFAOYSA-N , csc:WERYXYBDKMZEQL-UHFFFAOYSA-N , csc:BDERNNFJNOPAEC-UHFFFAOYSA-N , csc:XXROGKLTLUQVRX-UHFFFAOYSA-N , csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N , csc:PHTQWCKDNZKARW-UHFFFAOYSA-N .
csc:BTGRAWJCKBQKAO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8128 ;
dbo:casNumber "111-69-3" , "68411-90-5" , "68511-79-5" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2" ;
dbo:iupacName "Hexanedinitrile"@en ;
dbo:pubchem "8128"^^xsd:int ;
dbo:smiles "C(CCC#N)CC#N" ;
dbp:inchikey "InChIKey=BTGRAWJCKBQKAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "adpntl" ;
skos:prefLabel "adiponitril"@nl .
csc:CHEMONTID_0001917
skos:narrower csc:NTJOBXMMWNYJFB-UHFFFAOYSA-N .
csc:JVSWJIKNEAIKJW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11594 ;
dbo:casNumber "28777-67-5" , "26635-64-3" , "11070-05-6" , "1281-99-8" , "592-27-8" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3" ;
dbo:iupacName "2-Methylheptane"@en ;
dbo:pubchem "11594"^^xsd:int ;
dbo:smiles "CCCCCC(C)C" ;
dbp:inchikey "InChIKey=JVSWJIKNEAIKJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC7a" ;
skos:prefLabel "2-methylheptaan"@nl .
csc:WUAPFZMCVAUBPE-IGMARMGPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:161105 ;
dbo:casNumber "14998-63-1" ;
dbo:formula "Re" ;
dbo:inchi "InChI=1S/Re/i1+0" ;
dbo:iupacName "rhenium-186"@en ;
dbo:pubchem "161105"^^xsd:int ;
dbo:smiles "[Re]" ;
dbp:inchikey "InChIKey=WUAPFZMCVAUBPE-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Re186" ;
skos:prefLabel "rhenium 186"@nl .
csc:DVWSXZIHSUZZKJ-YSTUJMKBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5319706 ;
dbo:casNumber "301-00-8" ;
dbo:formula "C19H32O2" ;
dbo:inchi "InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-" ;
dbo:iupacName "methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate"@en ;
dbo:pubchem "5319706"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=DVWSXZIHSUZZKJ-YSTUJMKBSA-N" ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC18aTzrC1yE" ;
skos:prefLabel "cis-9,12,15-octadecatrieenzuur methylester"@nl .
csc:CHEMONTID_0004410
skos:narrower csc:JFPVXVDWJQMJEE-SWWZKJRFSA-N .
csc:UXVMQQNJUSDDNG-UHFFFAOYSA-L
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24854 ;
dbo:casNumber "10043-52-4" , "14639-81-7" , "139468-93-2" ;
dbo:formula "CaCl2" ;
dbo:inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" ;
dbo:iupacName "Calcium dichloride"@en ;
dbo:pubchem "24854"^^xsd:int ;
dbo:smiles "[Cl-].[Cl-].[Ca+2]" ;
dbp:inchikey "InChIKey=UXVMQQNJUSDDNG-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaCl2" ;
skos:prefLabel "calciumchloride"@nl .
csc:RUFPHBVGCFYCNW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8640 ;
dbo:casNumber "25168-10-9" , "12262-09-8" , "134-32-7" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2" ;
dbo:iupacName "naphthalen-1-amine"@en ;
dbo:pubchem "8640"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2N" ;
dbp:inchikey "InChIKey=RUFPHBVGCFYCNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoNaf" ;
skos:prefLabel "1-aminonaftaleen"@nl .
csc:NTAHCMPOMKHKEU-AATRIKPKSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034435 ;
dbo:casNumber "62610-77-9" , "30864-28-9" ;
dbo:formula "C7H13O5PS" ;
dbo:inchi "InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+" ;
dbo:iupacName "['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate']"@en ;
dbo:pubchem "3034435"^^xsd:int ;
dbo:smiles "CC(=COP(=S)(OC)OC)C(=O)OC" ;
dbp:inchikey "InChIKey=NTAHCMPOMKHKEU-AATRIKPKSA-N" ;
skos:altLabel "trans-methacrifos"@nl ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tmethcfs" , "methcfs" ;
skos:prefLabel "methacrifos"@nl .
csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 "@nl ;
rdfs:seeAlso compound:7361 ;
dbo:casNumber "88161-36-8" , "25212-86-6" , "93793-62-5" , "98-00-0" ;
dbo:formula "C5H6O2" ;
dbo:inchi "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2" ;
dbo:iupacName "furan-2-ylmethanol"@en ;
dbo:pubchem "7361"^^xsd:int ;
dbo:smiles "C1=COC(=C1)CO" ;
dbp:inchikey "InChIKey=XPFVYQJUAUNWIW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_009 ;
skos:altLabel "2-furaanmethanol"@nl , "furfurylalcohol"@nl ;
skos:broader csc:CHEMONTID_0004144 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2furC1ol" ;
skos:prefLabel "furfurylalcohol "@nl .
csc:CHEMONTID_0004325
skos:narrower csc:MIZGSAALSYARKU-UHFFFAOYSA-N , csc:HJOVHMDZYOCNQW-UHFFFAOYSA-N , csc:FWFSEYBSWVRWGL-UHFFFAOYSA-N , csc:AYJXHIDNNLJQDT-UHFFFAOYSA-N .
csc:HZAXFHJVJLSVMW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:700 ;
dbo:casNumber "141-43-5" , "9007-33-4" ;
dbo:formula "C2H7NO" ;
dbo:inchi "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2" ;
dbo:iupacName "2-aminoethanol"@en ;
dbo:pubchem "700"^^xsd:int ;
dbo:smiles "C(CO)N" ;
dbp:inchikey "InChIKey=HZAXFHJVJLSVMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC2olAe" ;
skos:prefLabel "monoethanolamine"@nl .
csc:REYZXWIIUPKFTI-RXMQYKEDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7577875 ;
dbo:casNumber "1438-14-8" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1" ;
dbo:iupacName "(2S)-2-propan-2-yloxirane"@en ;
dbo:pubchem "7577875"^^xsd:int ;
dbo:smiles "CC(C)C1CO1" ;
dbp:inchikey "InChIKey=REYZXWIIUPKFTI-RXMQYKEDSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12epOx3C1yC4" ;
skos:prefLabel "1,2-epoxy-3-methylbutaan"@nl .
csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:51720 ;
dbo:casNumber "72918-21-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H" ;
dbo:iupacName "1,2,3,7,8,9-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "51720"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=PYUSJFJVDVSXIU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)"@nl , " 1,2,3,7,8,9-hexachloordibenzofuraan"@nl , "1,2,3,7,8,9-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_72918-21-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF124" ;
skos:prefLabel "1,2,3,7,8,9-hexachloordibenzofuran"@nl ;
vcs:vmmParameterId "1242"^^xsd:int .
csc:CHEMONTID_0001975
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001975 ;
skos:definition "Compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XKABJYQDMJTNGQ-UHFFFAOYSA-N , csc:XOKCJXZZNAUIQN-UHFFFAOYSA-N , csc:SNICXCGAKADSCV-JTQLQIEISA-N , csc:UIKROCXWUNQSPJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001975" ;
skos:prefLabel "Pyrrolidinylpyridines"@en .
csc:QJAIOCKFIORVFU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7491 ;
dbo:casNumber "508191-95-5" , "100-23-2" ;
dbo:formula "C8H10N2O2" ;
dbo:inchi "InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3" ;
dbo:iupacName "N,N-Dimethyl-4-nitroaniline"@en ;
dbo:pubchem "7491"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QJAIOCKFIORVFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DC1yAn" ;
skos:prefLabel "4-nitrodimethylaniline"@nl .
csc:CDNNKGWZSNSADW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:519601 ;
dbo:casNumber "18772-36-6" ;
dbo:formula "C20H60O10Si10" ;
dbo:inchi "InChI=1S/C20H60O10Si10/c1-31(2)21-32(3,4)23-34(7,8)25-36(11,12)27-38(15,16)29-40(19,20)30-39(17,18)28-37(13,14)26-35(9,10)24-33(5,6)22-31/h1-20H3" ;
dbo:iupacName "2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20-icosamethyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane"@en ;
dbo:pubchem "519601"^^xsd:int ;
dbo:smiles "C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C" ;
dbp:inchikey "InChIKey=CDNNKGWZSNSADW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004445 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20aC1yccDcs" ;
skos:prefLabel "eicosamethylcyclodecasiloxaan"@nl .
csc:CHEMONTID_0000265
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000265 ;
skos:definition "Compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000265" ;
skos:prefLabel "Carboxylic acids and derivatives"@en .
csc:XLLIQLLCWZCATF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8054 ;
dbo:casNumber "32718-56-2" , "110-49-6" ;
dbo:formula "C5H10O3" ;
dbo:inchi "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3" ;
dbo:iupacName "2-Methoxyethyl acetate"@en ;
dbo:pubchem "8054"^^xsd:int ;
dbo:smiles "CC(=O)OCCOC" ;
dbp:inchikey "InChIKey=XLLIQLLCWZCATF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxC2yactt" ;
skos:prefLabel "2-methoxyethylacetaat"@nl .
csc:XMQFTWRPUQYINF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54960 ;
dbo:casNumber "83055-99-6" , "104466-83-3" ;
dbo:formula "C16H18N4O7S" ;
dbo:inchi "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)" ;
dbo:iupacName "methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate"@en ;
dbo:pubchem "54960"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC" ;
dbp:inchikey "InChIKey=XMQFTWRPUQYINF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bensfrnC1y" ;
skos:prefLabel "bensulfuron-methyl"@nl .
csc:KZUNJOHGWZRPMI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23951 ;
dbo:casNumber "110123-52-9" , "7440-19-9" ;
dbo:formula "Sm" ;
dbo:inchi "InChI=1S/Sm" ;
dbo:iupacName "SAMARIUM"@en ;
dbo:pubchem "23951"^^xsd:int ;
dbo:smiles "[Sm]" ;
dbp:inchikey "InChIKey=KZUNJOHGWZRPMI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sm" ;
skos:prefLabel "samarium"@nl .
csc:SESFRYSPDFLNCH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2345 ;
dbo:casNumber "120-51-4" ;
dbo:formula "C14H12O2" ;
dbo:inchi "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2" ;
dbo:iupacName "Phenylmethyl benzoate"@en ;
dbo:pubchem "2345"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=SESFRYSPDFLNCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzbzat" ;
skos:prefLabel "benzylbenzoaat"@nl .
csc:RJKFOVLPORLFTN-LEKSSAKUSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5994 ;
dbo:casNumber "8012-32-6" , "753497-20-0" , "257630-50-5" , "8023-13-0" , "57-83-0" ;
dbo:formula "C21H30O2" ;
dbo:inchi "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5994"^^xsd:int ;
dbo:smiles "CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C" ;
dbp:inchikey "InChIKey=RJKFOVLPORLFTN-LEKSSAKUSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "progtrn" ;
skos:prefLabel "progesteron"@nl .
csc:LQERIDTXQFOHKA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12401 ;
dbo:casNumber "629-92-5" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3" ;
dbo:iupacName "NONADECANE"@en ;
dbo:pubchem "12401"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=LQERIDTXQFOHKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C19a" ;
skos:prefLabel "nonadecaan"@nl .
csc:GBXSMTUPTTWBMN-XIRDDKMYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5388962 ;
dbo:casNumber "75847-73-3" ;
dbo:formula "C20H28N2O5" ;
dbo:inchi "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1" ;
dbo:iupacName "(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid"@en ;
dbo:pubchem "5388962"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O" ;
dbp:inchikey "InChIKey=GBXSMTUPTTWBMN-XIRDDKMYSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enlpl" ;
skos:prefLabel "enalapril"@nl .
csc:WSJBSKRPKADYRQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72666 ;
dbo:casNumber "1672-58-8" ;
dbo:formula "C12H13N3O2" ;
dbo:inchi "InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)" ;
dbo:iupacName "N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide"@en ;
dbo:pubchem "72666"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O" ;
dbp:inchikey "InChIKey=WSJBSKRPKADYRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4formAoatprn" ;
skos:prefLabel "4-formylaminoantipyrine"@nl .
csc:YXFVVABEGXRONW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:1140 ;
dbo:casNumber "108-88-3" , "50643-04-4" , "3101-08-4" ;
dbo:formula "C7H8" ;
dbo:inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "methylbenzene"@en ;
dbo:pubchem "1140"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=YXFVVABEGXRONW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 , co:CMA_2_III_A ;
skos:broader csc:CHEMONTID_0001091 ;
skos:exactMatch wise:CAS_108-88-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tol" ;
skos:prefLabel "tolueen"@nl ;
vcs:vmmParameterId "223"^^xsd:int .
csc:VQTVFIMEENGCJA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:137735 ;
dbo:casNumber "2820-37-3" ;
dbo:formula "C5H8N2" ;
dbo:inchi "InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)" ;
dbo:iupacName "3,4-dimethyl-2H-pyrazole"@en ;
dbo:pubchem "137735"^^xsd:int ;
dbo:smiles "CC1=C(NN=C1)C" ;
dbp:inchikey "InChIKey=VQTVFIMEENGCJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yprzl" ;
skos:prefLabel "3,4-dimethylpyrazol"@nl .
csc:XEFQLINVKFYRCS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5564 ;
dbo:casNumber "88032-08-0" , "112099-35-1" , "3380-34-5" ;
dbo:formula "C12H7Cl3O2" ;
dbo:inchi "InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H" ;
dbo:iupacName "5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL"@en ;
dbo:pubchem "5564"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=XEFQLINVKFYRCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcsn" ;
skos:prefLabel "triclosan"@nl .
csc:UIHCLUNTQKBZGK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11262 ;
dbo:casNumber "565-61-7" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "3-METHYLPENTAN-2-ONE"@en ;
dbo:pubchem "11262"^^xsd:int ;
dbo:smiles "CCC(C)C(=O)C" ;
dbp:inchikey "InChIKey=UIHCLUNTQKBZGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y2C5on" ;
skos:prefLabel "3-methyl-2-pentanon"@nl .
csc:QAPVYZRWKDXNDK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7569 ;
dbo:casNumber "1336-54-5" , "101-67-7" , "26603-23-6" ;
dbo:formula "C28H43N" ;
dbo:inchi "InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3" ;
dbo:iupacName "4-Octyl-N-(4-octylphenyl)aniline"@en ;
dbo:pubchem "7569"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCC" ;
dbp:inchikey "InChIKey=QAPVYZRWKDXNDK-UHFFFAOYSA-N" ;
skos:altLabel "4-octyl-n-(4-octylfenyl)-benzeenamine"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C8yN4C8yFyB" ;
skos:prefLabel "4-octyl-N-(4-octylfenyl)-benzeenamine"@nl .
csc:JOXIMZWYDAKGHI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6101 ;
dbo:casNumber "104-15-4" , "126033-27-0" , "144647-92-7" , "128739-80-0" , "114213-96-6" , "25231-46-3" , "156627-46-2" , "100901-72-2" , "402-47-1" , "210357-81-6" ;
dbo:formula "C7H8O3S" ;
dbo:inchi "InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)" ;
dbo:iupacName "4-Methylbenzenesulfonic acid"@en ;
dbo:pubchem "6101"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=JOXIMZWYDAKGHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003278 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTolsfzr" ;
skos:prefLabel "p-tolueensulfonzuur"@nl .
csc:CHEMONTID_0004298
skos:narrower csc:LPLLVINFLBSFRP-UHFFFAOYSA-N , csc:JNHLHPMTMTYLCP-UHFFFAOYSA-N , csc:VCHOFVSNWYPAEF-UHFFFAOYSA-N , csc:LNEPOXFFQSENCJ-UHFFFAOYSA-N , csc:FSPSELPMWGWDRY-UHFFFAOYSA-N , csc:GTDQGKWDWVUKTI-UHFFFAOYSA-N , csc:LJYOFQHKEWTQRH-UHFFFAOYSA-N , csc:JOATXPAWOHTVSZ-UHFFFAOYSA-N , csc:RTKIYFITIVXBLE-WKWSCTOISA-N , csc:WXCMHFPAUCOJIG-UHFFFAOYSA-N , csc:HSDSKVWQTONQBJ-UHFFFAOYSA-N , csc:KWOLFJPFCHCOCG-UHFFFAOYSA-N , csc:SKBBQSLSGRSQAJ-UHFFFAOYSA-N , csc:SNPPWIUOZRMYNY-UHFFFAOYSA-N , csc:WPRAXAOJIODQJR-UHFFFAOYSA-N , csc:KWWWFTBWCKTBQI-UHFFFAOYSA-N , csc:BMXXSXQVMCXGJM-UHFFFAOYSA-N , csc:IMACFCSSMIZSPP-UHFFFAOYSA-N .
csc:PFRYFZZSECNQOL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7340 ;
dbo:casNumber "97-56-3" , "41576-40-3" , "28676-13-3" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3" ;
dbo:iupacName "2-methyl-4-(2-methylphenyl)diazenylaniline"@en ;
dbo:pubchem "7340"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C" ;
dbp:inchikey "InChIKey=PFRYFZZSECNQOL-UHFFFAOYSA-N" ;
skos:altLabel "c.i. solvent yellow 3"@nl ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisyw3" ;
skos:prefLabel "C.I. Solvent Yellow 3"@nl .
csc:YZIYKJHYYHPJIB-UUPCJSQJSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:29089 ;
dbo:casNumber "14007-07-9" , "18472-51-0" , "12068-31-4" , "124973-71-3" , "151498-43-0" , "40330-16-3" , "60404-86-6" , "60042-57-1" , "51365-13-0" , "82432-16-4" , "105791-72-8" , "52387-19-6" , "150621-85-5" , "23289-58-9" , "52196-45-9" , "21293-24-3" ;
dbo:formula "C34H54Cl2N10O14" ;
dbo:inchi "InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1" ;
dbo:iupacName "(1E)-2-[6-[[amino-[[amino-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[amino-[(4-chlorophenyl)amino]methylidene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid"@en ;
dbo:pubchem "29089"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O" ;
dbp:inchikey "InChIKey=YZIYKJHYYHPJIB-UUPCJSQJSA-N" ;
skos:broader csc:CHEMONTID_0000215 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clhxdngcnt" ;
skos:prefLabel "chloorhexidinegluconaat"@nl .
csc:HRYZWHHZPQKTII-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6337 ;
dbo:casNumber "68411-72-3" , "16520-13-1" , "68583-57-3" , "75-00-3" , "68909-11-5" ;
dbo:formula "C2H5Cl" ;
dbo:inchi "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3" ;
dbo:iupacName "Chloroethane"@en ;
dbo:pubchem "6337"^^xsd:int ;
dbo:smiles "CCCl" ;
dbp:inchikey "InChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC2a" ;
skos:prefLabel "chloorethaan"@nl .
csc:PWVKJRSRVJTHTR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23971 ;
dbo:casNumber "7440-40-6" ;
dbo:formula "Bk" ;
dbo:inchi "InChI=1S/Bk" ;
dbo:iupacName "BERKELIUM"@en ;
dbo:pubchem "23971"^^xsd:int ;
dbo:smiles "[Bk]" ;
dbp:inchikey "InChIKey=PWVKJRSRVJTHTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bk" ;
skos:prefLabel "berkelium"@nl .
csc:DMEDNTFWIHCBRK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8368 ;
dbo:casNumber "118-69-4" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,3-dichloro-2-methylbenzene"@en ;
dbo:pubchem "8368"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)Cl" ;
dbp:inchikey "InChIKey=DMEDNTFWIHCBRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClTol" ;
skos:prefLabel "2,6-dichloortolueen"@nl .
csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16073 ;
dbo:casNumber "1967-16-4" ;
dbo:formula "C11H10ClNO2" ;
dbo:inchi "InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)" ;
dbo:iupacName "but-3-yn-2-yl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "16073"^^xsd:int ;
dbo:smiles "CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl" ;
dbp:inchikey "InChIKey=ULBXWWGWDPVHAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbfm" ;
skos:prefLabel "chloorbufam"@nl .
csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16553 ;
dbo:casNumber "2163-68-0" ;
dbo:formula "C8H15N5O" ;
dbo:inchi "InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)" ;
dbo:iupacName "4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one"@en ;
dbo:pubchem "16553"^^xsd:int ;
dbo:smiles "CCNC1=NC(=O)N=C(N1)NC(C)C" ;
dbp:inchikey "InChIKey=NFMIMWNQWAWNDW-UHFFFAOYSA-N" ;
skos:altLabel "2-hydroxy-atrazine"@nl ;
skos:broader csc:CHEMONTID_0004105 ;
skos:exactMatch wise:CAS_2163-68-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxatzne" ;
skos:prefLabel "2-hydroxyatrazine"@nl ;
vcs:vmmParameterId "798"^^xsd:int .
csc:LQZZUXJYWNFBMV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8193 ;
dbo:casNumber "68551-07-5" , "8032-09-5" , "112-53-8" , "68855-55-0" , "8032-10-8" , "8032-08-4" , "8014-32-2" , "1322-35-6" ;
dbo:formula "C12H26O" ;
dbo:inchi "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3" ;
dbo:iupacName "dodecan-1-ol"@en ;
dbo:pubchem "8193"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCO" ;
dbp:inchikey "InChIKey=LQZZUXJYWNFBMV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C12ol" ;
skos:prefLabel "1-dodecanol"@nl .
csc:ZCVAOQKBXKSDMS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11442 ;
dbo:casNumber "8018-12-0" , "6385-68-8" , "3972-20-1" , "18877-88-8" , "22556-34-9" , "22467-86-3" , "84030-86-4" , "25406-22-8" , "28434-00-6" , "28991-27-7" , "18793-35-6" , "584-79-2" , "25406-25-1" , "71211-88-6" , "207562-36-5" , "34624-48-1" , "24313-23-3" , "137-98-4" , "23453-08-9" , "71119-51-2" , "28057-48-9" , "20301-61-5" , "22431-63-6" , "6385-67-7" , "42534-61-2" , "25406-24-0" ;
dbo:formula "C19H26O3" ;
dbo:inchi "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3" ;
dbo:iupacName "(2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "11442"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C" ;
dbp:inchikey "InChIKey=ZCVAOQKBXKSDMS-UHFFFAOYSA-N" ;
skos:altLabel "allethrin"@nl ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alltn" , "dtalltn" ;
skos:prefLabel "d-trans-allethrin"@nl .
csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:991 ;
dbo:casNumber "110616-89-2" , "11111-91-4" , "56-38-2" , "8057-70-3" ;
dbo:formula "C10H14NO5PS" ;
dbo:inchi "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "991"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=LCCNCVORNKJIRZ-UHFFFAOYSA-N" ;
skos:altLabel "parathion-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_56-38-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yprton" ;
skos:prefLabel "ethylparathion"@nl ;
vcs:vmmParameterId "531"^^xsd:int .
csc:NIXOWILDQLNWCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6581 ;
dbo:casNumber "104922-39-6" , "81031-52-9" , "55927-87-2" , "101360-15-0" , "174594-09-3" , "29862-29-1" , "54990-82-8" , "59233-19-1" , "105913-47-1" , "11132-69-7" , "37241-23-9" , "51142-25-7" , "82446-45-5" , "56747-65-0" , "54578-44-8" , "39341-22-5" , "9003-03-6" , "71767-27-6" , "65742-16-7" , "125857-68-3" , "54182-57-9" , "25987-55-7" , "88650-89-9" , "71767-28-7" , "79-10-7" , "87913-02-8" , "9007-20-9" , "165724-08-3" ;
dbo:formula "C3H4O2" ;
dbo:inchi "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)" ;
dbo:iupacName "prop-2-enoic acid"@en ;
dbo:pubchem "6581"^^xsd:int ;
dbo:smiles "C=CC(=O)O" ;
dbp:inchikey "InChIKey=NIXOWILDQLNWCW-UHFFFAOYSA-N" ;
skos:altLabel "acrylzuur"@nl , "2-propeenzuur"@nl ;
skos:broader csc:CHEMONTID_0004451 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ezr" ;
skos:prefLabel "acrylzuur "@nl .
csc:YNPNZTXNASCQKK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:995 ;
dbo:casNumber "85-01-8" ;
dbo:formula "C14H10" ;
dbo:inchi "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" ;
dbo:iupacName "Phenanthrene"@en ;
dbo:pubchem "995"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C32" ;
dbp:inchikey "InChIKey=YNPNZTXNASCQKK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_85-01-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fen" ;
skos:prefLabel "fenantreen"@nl ;
vcs:vmmParameterId "428"^^xsd:int , "1429"^^xsd:int .
csc:HFZWRUODUSTPEG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8449 ;
dbo:casNumber "120-83-2" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H" ;
dbo:iupacName "2,4-Dichlorophenol"@en ;
dbo:pubchem "8449"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)O" ;
dbp:inchikey "InChIKey=HFZWRUODUSTPEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_120-83-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClFol" ;
skos:prefLabel "2,4-dichloorfenol"@nl ;
vcs:vmmParameterId "346"^^xsd:int .
csc:RQNWIZPPADIBDY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'"@nl , "VLAR (D2) 'arseen'"@nl , "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'"@nl , "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'"@nl , "VLAR III (D3) 'AsH3'"@nl , "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3, diverse art) 'As'"@nl , "VLAR bijl. II 2.5.8 'arseen'"@nl ;
rdfs:seeAlso compound:5359596 ;
dbo:casNumber "55624-62-9" , "7440-38-2" , "7784-42-1" , "39277-51-5" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As" ;
dbo:iupacName "Arsenic"@en ;
dbo:pubchem "5359596"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "InChIKey=RQNWIZPPADIBDY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "arseenwaterstof (ash3)"@nl , "arseenwaterstof (AsH3)"@nl , "arseen (as)"@nl , "arseen"@nl , "arseen, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:definition "arseen en arseenverbindingen, uitgedrukt als arseen (As)"@nl ;
skos:exactMatch wise:CAS_7440-38-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As" ;
skos:prefLabel "Arseen (As)"@nl ;
vcs:vmmParameterId "136"^^xsd:int , "1919"^^xsd:int , "135"^^xsd:int , "1987"^^xsd:int , "137"^^xsd:int .
csc:CHEMONTID_0000159
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000159 ;
skos:definition "Compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:IAYPIBMASNFSPL-UHFFFAOYSA-N , csc:REYZXWIIUPKFTI-RXMQYKEDSA-N , csc:SHKUUQIDMUMQQK-UHFFFAOYSA-N , csc:CTKINSOISVBQLD-UHFFFAOYSA-N , csc:ZFIVKAOQEXOYFY-UHFFFAOYSA-N , csc:GOOHAUXETOMSMM-UHFFFAOYSA-N , csc:NWLUZGJDEZBBRH-UHFFFAOYSA-N , csc:BBBUAWSVILPJLL-UHFFFAOYSA-N , csc:RBACIKXCRWGCBB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000159" ;
skos:prefLabel "Epoxides"@en .
csc:CHHCCYVOJBBCIY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23285 ;
dbo:casNumber "6848-13-1" ;
dbo:formula "C8H10ClN" ;
dbo:inchi "InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3" ;
dbo:iupacName "3-Chloro-N,N-dimethylaniline"@en ;
dbo:pubchem "23285"^^xsd:int ;
dbo:smiles "CN(C)C1=CC(=CC=C1)Cl" ;
dbp:inchikey "InChIKey=CHHCCYVOJBBCIY-UHFFFAOYSA-N" ;
skos:altLabel "3-chloor-N,N-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClNNDC1yAn" ;
skos:prefLabel "3-chloor-n,n-dimethylaniline"@nl .
csc:SBZXBUIDTXKZTM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8150 ;
dbo:casNumber "111-96-6" , "142939-39-7" , "70992-86-8" , "54631-70-8" ;
dbo:formula "C6H14O3" ;
dbo:inchi "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3" ;
dbo:iupacName "1-METHOXY-2-(2-METHOXYETHOXY)ETHANE"@en ;
dbo:pubchem "8150"^^xsd:int ;
dbo:smiles "COCCOCCOC" ;
dbp:inchikey "InChIKey=SBZXBUIDTXKZTM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2C1oxC2yE" ;
skos:prefLabel "bis(2-methoxyethyl)ether"@nl .
csc:RLMZELPHRPTNJX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:74548 ;
dbo:casNumber "1807-29-0" ;
dbo:formula "C22H38O" ;
dbo:inchi "InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3" ;
dbo:iupacName "2,4-Dioctylphenol"@en ;
dbo:pubchem "74548"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC" ;
dbp:inchikey "InChIKey=RLMZELPHRPTNJX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC8yFol" ;
skos:prefLabel "2,4-dioctylfenol"@nl .
csc:DGBIGWXXNGSACT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2802 ;
dbo:casNumber "106955-87-7" , "1622-61-3" ;
dbo:formula "C15H10ClN3O3" ;
dbo:inchi "InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)" ;
dbo:iupacName "5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "2802"^^xsd:int ;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl" ;
dbp:inchikey "InChIKey=DGBIGWXXNGSACT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clonzpm" ;
skos:prefLabel "clonazepam"@nl .
csc:HXGDTGSAIMULJN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9161 ;
dbo:casNumber "208-96-8" , "34493-60-2" ;
dbo:formula "C12H8" ;
dbo:inchi "InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H" ;
dbo:iupacName "Acenaphthylene"@en ;
dbo:pubchem "9161"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC3=CC=C2" ;
dbp:inchikey "InChIKey=HXGDTGSAIMULJN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 , co:WAC_IV_A_002 ;
skos:broader csc:CHEMONTID_0004812 ;
skos:exactMatch wise:CAS_208-96-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AcNy" ;
skos:prefLabel "acenaftyleen"@nl ;
vcs:vmmParameterId "511"^^xsd:int , "1420"^^xsd:int .
csc:TYIYMOAHACZAMQ-CQSZACIVSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:180089 ;
dbo:casNumber "122008-85-9" ;
dbo:formula "C20H20FNO4" ;
dbo:inchi "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1" ;
dbo:iupacName "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate"@en ;
dbo:pubchem "180089"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F" ;
dbp:inchikey "InChIKey=TYIYMOAHACZAMQ-CQSZACIVSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhlfC4y" ;
skos:prefLabel "cyhalofop-butyl"@nl .
csc:VGKDLMBJGBXTGI-SJCJKPOMSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68617 ;
dbo:casNumber "79617-96-2" ;
dbo:formula "C17H17Cl2N" ;
dbo:inchi "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1" ;
dbo:iupacName "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine"@en ;
dbo:pubchem "68617"^^xsd:int ;
dbo:smiles "CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=VGKDLMBJGBXTGI-SJCJKPOMSA-N" ;
skos:broader csc:CHEMONTID_0000049 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sertlne" ;
skos:prefLabel "sertraline"@nl .
csc:CHEMONTID_0002449
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002449 ;
skos:definition "Compounds formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups, and having the general structures RNH2 (primary amines), R2NH (secondary amines), R3N (tertiary amines)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002449" ;
skos:prefLabel "Amines"@en .
csc:UISUNVFOGSJSKD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91708 ;
dbo:casNumber "71422-67-8" ;
dbo:formula "C20H9Cl3F5N3O3" ;
dbo:inchi "InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)" ;
dbo:iupacName "N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91708"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F" ;
dbp:inchikey "InChIKey=UISUNVFOGSJSKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfazrn" ;
skos:prefLabel "chloorfluazuron"@nl .
csc:HLBLWEWZXPIGSM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7579 ;
dbo:casNumber "101-80-4" , "121509-79-3" ;
dbo:formula "C12H12N2O" ;
dbo:inchi "InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenoxy)aniline"@en ;
dbo:pubchem "7579"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)OC2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=HLBLWEWZXPIGSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAoDFyEtr" ;
skos:prefLabel "4,4'-diaminodifenylether"@nl .
csc:BSYNRYMUTXBXSQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2244 ;
dbo:casNumber "2349-94-2" , "98201-60-6" , "11126-37-7" , "26914-13-6" , "50-78-2" , "11126-35-5" ;
dbo:formula "C9H8O4" ;
dbo:inchi "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" ;
dbo:iupacName "2-acetyloxybenzoic acid"@en ;
dbo:pubchem "2244"^^xsd:int ;
dbo:smiles "CC(=O)OC1=CC=CC=C1C(=O)O" ;
dbp:inchikey "InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004577 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "asprne" ;
skos:prefLabel "aspirine"@nl .
csc:OWXJKYNZGFSVRC-NSCUHMNNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5284364 ;
dbo:casNumber "36472-34-1" , "16136-85-9" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+" ;
dbo:iupacName "['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene']"@en ;
dbo:pubchem "5284364"^^xsd:int ;
dbo:smiles "CC=CCl" ;
dbp:inchikey "InChIKey=OWXJKYNZGFSVRC-NSCUHMNNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t1Cl1C3e" ;
skos:prefLabel "trans-1-chloor-1-propeen"@nl .
csc:FNAZRRHPUDJQCJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12403 ;
dbo:casNumber "629-94-7" ;
dbo:formula "C21H44" ;
dbo:inchi "InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3" ;
dbo:iupacName "Henicosane"@en ;
dbo:pubchem "12403"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=FNAZRRHPUDJQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C21a" ;
skos:prefLabel "heneicosaan"@nl .
csc:WTKZEGDFNFYCGP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1048 ;
dbo:casNumber "288-13-1" , "116421-36-4" , "53153-43-8" ;
dbo:formula "C3H4N2" ;
dbo:inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)" ;
dbo:iupacName "1H-Pyrazole"@en ;
dbo:pubchem "1048"^^xsd:int ;
dbo:smiles "C1=CNN=C1" ;
dbp:inchikey "InChIKey=WTKZEGDFNFYCGP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrzl" ;
skos:prefLabel "pyrazol"@nl .
csc:IBSREHMXUMOFBB-MVGRHBATSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6435890 ;
dbo:casNumber "71751-41-2" , "86753-29-9" ;
dbo:formula "C95H142O28" ;
dbo:inchi "InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6435890"^^xsd:int ;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O" ;
dbp:inchikey "InChIKey=IBSREHMXUMOFBB-MVGRHBATSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "abmtne" ;
skos:prefLabel "abamectine"@nl .
csc:OKRJGUKZYSEUOY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123480 ;
dbo:casNumber "39099-23-5" ;
dbo:formula "C7H17N" ;
dbo:inchi "InChI=1S/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3" ;
dbo:iupacName "N-propan-2-ylbutan-1-amine"@en ;
dbo:pubchem "123480"^^xsd:int ;
dbo:smiles "CCCCNC(C)C" ;
dbp:inchikey "InChIKey=OKRJGUKZYSEUOY-UHFFFAOYSA-N" ;
skos:altLabel "n-isopropylbutylamine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NiC3yC4yAe" ;
skos:prefLabel "N-isopropylbutylamine"@nl .
csc:CHEMONTID_0000138
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000138 ;
skos:definition "Organic compounds containing a methoxybenzene or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RDOXTESZEPMUJZ-UHFFFAOYSA-N , csc:XGXUGXPKRBQINS-UHFFFAOYSA-N , csc:BBABSCYTNHOKOG-UHFFFAOYSA-N , csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N , csc:HUTDUHSNJYTCAR-UHFFFAOYSA-N , csc:IEDVJHCEMCRBQM-UHFFFAOYSA-N , csc:TVYLLZQTGLZFBW-ZBFHGGJFSA-N , csc:YXTRCOAFNXQTKL-UHFFFAOYSA-N , csc:PLDWAJLZAAHOGG-UHFFFAOYSA-N , csc:RUVINXPYWBROJD-ONEGZZNKSA-N ;
skos:notation "CHEMONTID:0000138" ;
skos:prefLabel "Anisoles"@en .
csc:ZTYVMAQSHCZXLF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:101525 ;
dbo:casNumber "86209-51-0" , "179765-69-6" ;
dbo:formula "C15H12F4N4O7S" ;
dbo:inchi "InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)" ;
dbo:iupacName "methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "101525"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F" ;
dbp:inchikey "InChIKey=ZTYVMAQSHCZXLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmsfrnC1y" ;
skos:prefLabel "pirimisulfuron-methyl"@nl .
csc:BUGYDGFZZOZRHP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4054 ;
dbo:casNumber "51052-62-1" , "19982-08-2" ;
dbo:formula "C12H21N" ;
dbo:inchi "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3" ;
dbo:iupacName "3,5-dimethyladamantan-1-amine"@en ;
dbo:pubchem "4054"^^xsd:int ;
dbo:smiles "CC12CC3CC(C1)(CC(C3)(C2)N)C" ;
dbp:inchikey "InChIKey=BUGYDGFZZOZRHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "memtne" ;
skos:prefLabel "memantine"@nl .
csc:XFNJVKMNNVCYEK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6861 ;
dbo:casNumber "31093-43-3" , "86-86-2" ;
dbo:formula "C12H11NO" ;
dbo:inchi "InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)" ;
dbo:iupacName "2-naphthalen-1-ylacetamide"@en ;
dbo:pubchem "6861"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC(=O)N" ;
dbp:inchikey "InChIKey=XFNJVKMNNVCYEK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "21ntacAd" ;
skos:prefLabel "2-(1-naftyl)aceetamide"@nl .
csc:PUVAFTRIIUSGLK-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18205 ;
dbo:casNumber "51838-31-4" , "3033-77-0" , "129829-22-7" , "37229-18-8" ;
dbo:formula "C6H14ClNO" ;
dbo:inchi "InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-(oxiran-2-ylmethyl)azanium chloride"@en ;
dbo:pubchem "18205"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CC1CO1.[Cl-]" ;
dbp:inchikey "InChIKey=PUVAFTRIIUSGLK-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23epOxC3yTC1" ;
skos:prefLabel "2,3-epoxypropyltrimethylammoniumchloride"@nl .
csc:HLZCHRAMVPCKDU-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16119 ;
dbo:casNumber "1982-69-0" ;
dbo:formula "C8H5Cl2NaO3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1" ;
dbo:iupacName "Sodium 3,6-dichloro-2-methoxybenzoate"@en ;
dbo:pubchem "16119"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+]" ;
dbp:inchikey "InChIKey=HLZCHRAMVPCKDU-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DcbNazt" ;
skos:prefLabel "dicamba-natriumzout"@nl .
csc:HBPDKDSFLXWOAE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5383 ;
dbo:casNumber "34014-18-1" ;
dbo:formula "C9H16N4OS" ;
dbo:inchi "InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)" ;
dbo:iupacName "1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea"@en ;
dbo:pubchem "5383"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC" ;
dbp:inchikey "InChIKey=HBPDKDSFLXWOAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004668 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebturn" ;
skos:prefLabel "tebuthiuron"@nl .
csc:LEEANUDEDHYDTG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24509 ;
dbo:casNumber "7778-85-0" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3" ;
dbo:iupacName "1,2-DIMETHOXYPROPANE"@en ;
dbo:pubchem "24509"^^xsd:int ;
dbo:smiles "CC(COC)OC" ;
dbp:inchikey "InChIKey=LEEANUDEDHYDTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC1oxC3a" ;
skos:prefLabel "1,2-dimethoxypropaan"@nl .
csc:OLZQTUCTGLHFTQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54745 ;
dbo:casNumber "81406-37-3" ;
dbo:formula "C15H21Cl2FN2O3" ;
dbo:inchi "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)" ;
dbo:iupacName "octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate"@en ;
dbo:pubchem "54745"^^xsd:int ;
dbo:smiles "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F" ;
dbp:inchikey "InChIKey=OLZQTUCTGLHFTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluOxpmtl" ;
skos:prefLabel "fluroxypyr-meptyl"@nl .
csc:CHEMONTID_0003029
skos:narrower csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N , csc:XTAHLACQOVXINQ-UHFFFAOYSA-N , csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N , csc:KSMVNVHUTQZITP-UHFFFAOYSA-N , csc:BKIXWRBZCQEZAQ-UHFFFAOYSA-N , csc:OGBQILNBLMPPDP-UHFFFAOYSA-N , csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N , csc:NZUPQBVDIWCPBX-UHFFFAOYSA-N , csc:RHIROFAGUQOFLU-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N , csc:ZCTNDJSCLPJCRA-UHFFFAOYSA-N , csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N .
csc:OHXAOPZTJOUYKM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11241 ;
dbo:casNumber "563-47-3" ;
dbo:formula "C4H7Cl" ;
dbo:inchi "InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3" ;
dbo:iupacName "3-Chloro-2-methylprop-1-ene"@en ;
dbo:pubchem "11241"^^xsd:int ;
dbo:smiles "CC(=C)CCl" ;
dbp:inchikey "InChIKey=OHXAOPZTJOUYKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl2C1y1C3e" ;
skos:prefLabel "3-chloor-2-methyl-1-propeen"@nl .
csc:KFUSEUYYWQURPO-OWOJBTEDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:638186 ;
dbo:casNumber "540-59-0" , "43695-79-0" , "156-60-5" ;
dbo:formula "C2H2Cl2" ;
dbo:inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+" ;
dbo:iupacName "['1,2-Dichloroethene', '(E)-1,2-Dichloroethene']"@en ;
dbo:pubchem "638186"^^xsd:int ;
dbo:smiles "C(=CCl)Cl" ;
dbp:inchikey "InChIKey=KFUSEUYYWQURPO-OWOJBTEDSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,2-dichloorethyleen"@nl , "1,2-dichlooretheen,trans"@nl , "1,2-dichloorethyleen "@nl , "1,2-dichlooretheen, cis"@nl , "trans-1,2-dichlooretheen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_156-60-5 , wise:CAS_540-59-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DClC2e" , "12DClC2e" ;
skos:prefLabel "1,2-dichlooretheen"@nl ;
vcs:vmmParameterId "320"^^xsd:int , "714"^^xsd:int .
csc:BHNQPLPANNDEGL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94543 ;
dbo:casNumber "51437-89-9" , "26636-32-8" ;
dbo:formula "C16H26O2" ;
dbo:inchi "InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3" ;
dbo:iupacName "2-(4-octylphenoxy)ethanol"@en ;
dbo:pubchem "94543"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)OCCO" ;
dbp:inchikey "InChIKey=BHNQPLPANNDEGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "octylfenolpolyethoxylaat"@nl .
csc:BVKZGUZCCUSVTD-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19660 ;
dbo:casNumber "3812-32-6" ;
dbo:formula "CO3-2" ;
dbo:inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" ;
dbo:iupacName "carbonate"@en ;
dbo:pubchem "19660"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-]" ;
dbp:inchikey "InChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA-L" ;
skos:exactMatch wise:CAS_3812-32-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CO3" ;
skos:prefLabel "carbonaat"@nl ;
vcs:vmmParameterId "3"^^xsd:int .
csc:PXFDQFDPXWHEEP-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13740 ;
dbo:casNumber "959-55-7" ;
dbo:formula "C17H30ClN" ;
dbo:inchi "InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-octylazanium chloride"@en ;
dbo:pubchem "13740"^^xsd:int ;
dbo:smiles "CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=PXFDQFDPXWHEEP-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzDC1yC8yl" ;
skos:prefLabel "benzyldimethyloctylammoniumchloride"@nl .
csc:XPCLSVISJWLKJE-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:168739 ;
dbo:casNumber "27936-43-2" , "25154-52-3" ;
dbo:formula "C15H23KO" ;
dbo:inchi "InChI=1S/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1" ;
dbo:iupacName "potassium 2-nonylphenolate"@en ;
dbo:pubchem "168739"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1[O-].[K+]" ;
dbp:inchikey "InChIKey=XPCLSVISJWLKJE-UHFFFAOYSA-M" ;
dct:isReferencedBy co:WAC_IV_A_001 , co:WAC_IV_A_005 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9yFol" ;
skos:prefLabel "nonylfenol"@nl .
csc:QHMTXANCGGJZRX-WUXMJOGZSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9576037 ;
dbo:casNumber "123312-89-0" ;
dbo:formula "C10H11N5O" ;
dbo:inchi "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+" ;
dbo:iupacName "6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one"@en ;
dbo:pubchem "9576037"^^xsd:int ;
dbo:smiles "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2" ;
dbp:inchikey "InChIKey=QHMTXANCGGJZRX-WUXMJOGZSA-N" ;
skos:broader csc:CHEMONTID_0004107 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pymtzne" ;
skos:prefLabel "pymetrozine"@nl .
csc:VXNZUUAINFGPBY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7844 ;
dbo:casNumber "172345-47-0" , "25038-50-0" , "106-98-9" , "61788-35-0" , "9003-28-5" , "33004-02-3" , "25167-67-3" , "54366-07-3" , "1735-75-7" ;
dbo:formula "C4H8" ;
dbo:inchi "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3" ;
dbo:iupacName "But-1-ene"@en ;
dbo:pubchem "7844"^^xsd:int ;
dbo:smiles "CCC=C" ;
dbp:inchikey "InChIKey=VXNZUUAINFGPBY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polC4e" ;
skos:prefLabel "polybuteen"@nl .
csc:GUVUOGQBMYCBQP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:81646 ;
dbo:casNumber "7226-23-5" ;
dbo:formula "C6H12N2O" ;
dbo:inchi "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3" ;
dbo:iupacName "1,3-dimethyl-1,3-diazinan-2-one"@en ;
dbo:pubchem "81646"^^xsd:int ;
dbo:smiles "CN1CCCN(C1=O)C" ;
dbp:inchikey "InChIKey=GUVUOGQBMYCBQP-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinon"@nl ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC1yT4H21H" ;
skos:prefLabel "1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon"@nl .
csc:ASLWPAWFJZFCKF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:26177 ;
dbo:casNumber "13674-87-8" ;
dbo:formula "C9H15Cl6O4P" ;
dbo:inchi "InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2" ;
dbo:iupacName "tris(1,3-dichloropropan-2-yl) phosphate"@en ;
dbo:pubchem "26177"^^xsd:int ;
dbo:smiles "C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl" ;
dbp:inchikey "InChIKey=ASLWPAWFJZFCKF-UHFFFAOYSA-N" ;
skos:altLabel "tris-(1,3-dichloor-2-propyl)-fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris2Cl1ClC1" ;
skos:prefLabel "tris(2-chloor-1-(chloormethyl)ethyl)fosfaat"@nl .
csc:JAZJVWLGNLCNDD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30859 ;
dbo:casNumber "21923-23-9" , "51052-59-6" ;
dbo:formula "C11H15Cl2O3PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3" ;
dbo:iupacName "(2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "30859"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl" ;
dbp:inchikey "InChIKey=JAZJVWLGNLCNDD-UHFFFAOYSA-N" ;
skos:altLabel "chloorthiofos i"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CltofsI" ;
skos:prefLabel "chloorthiofos I"@nl .
csc:BGJSXRVXTHVRSN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8081 ;
dbo:casNumber "110-88-3" , "113783-48-5" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2" ;
dbo:iupacName "1,3,5-Trioxane"@en ;
dbo:pubchem "8081"^^xsd:int ;
dbo:smiles "C1OCOCO1" ;
dbp:inchikey "InChIKey=BGJSXRVXTHVRSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001853 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TOxC1ye" ;
skos:prefLabel "trioxymethyleen"@nl .
csc:RIIWUGSYXOBDMC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11990 ;
dbo:casNumber "615-28-1" ;
dbo:formula "C6H10Cl2N2" ;
dbo:inchi "InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H" ;
dbo:iupacName "benzene-1,2-diamine dihydrochloride"@en ;
dbo:pubchem "11990"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)N.Cl.Cl" ;
dbp:inchikey "InChIKey=RIIWUGSYXOBDMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12BenDAeDHCl" ;
skos:prefLabel "1,2-benzeendiamine dihydrochloride"@nl .
csc:KKWHDMUCBWSKGL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2733946 ;
dbo:casNumber "79415-41-1" ;
dbo:formula "C7H3Br5O" ;
dbo:inchi "InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2" ;
dbo:iupacName "(2,3,4,5,6-pentabromophenyl)methanol"@en ;
dbo:pubchem "2733946"^^xsd:int ;
dbo:smiles "C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O" ;
dbp:inchikey "InChIKey=KKWHDMUCBWSKGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000033 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pentabroombenzylalcohol"@nl .
csc:UZCGKGPEKUCDTF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91731 ;
dbo:casNumber "79622-59-6" , "113015-31-9" ;
dbo:formula "C13H4Cl2F6N4O4" ;
dbo:inchi "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)" ;
dbo:iupacName "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine"@en ;
dbo:pubchem "91731"^^xsd:int ;
dbo:smiles "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F" ;
dbp:inchikey "InChIKey=UZCGKGPEKUCDTF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluaznm" ;
skos:prefLabel "fluazinam"@nl .
csc:SYQBFIAQOQZEGI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23937 ;
dbo:casNumber "7440-04-2" ;
dbo:formula "Os" ;
dbo:inchi "InChI=1S/Os" ;
dbo:iupacName "OSMIUM"@en ;
dbo:pubchem "23937"^^xsd:int ;
dbo:smiles "[Os]" ;
dbp:inchikey "InChIKey=SYQBFIAQOQZEGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Os" ;
skos:prefLabel "osmium"@nl .
csc:OOBSUSUFVSSVFU-GQCTYLIASA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437490 ;
dbo:casNumber "68155-39-5" ;
dbo:formula "C18H37NO" ;
dbo:inchi "InChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3/b6-4+" ;
dbo:iupacName "(E)-16-ethoxyhexadec-9-en-1-amine"@en ;
dbo:pubchem "6437490"^^xsd:int ;
dbo:smiles "CCOCCCCCCC=CCCCCCCCCN" ;
dbp:inchikey "InChIKey=OOBSUSUFVSSVFU-GQCTYLIASA-N" ;
skos:altLabel "c14-c18 en c16-c18 onverzadigd alkylamine-ethoxylaat"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14C18C16C18" ;
skos:prefLabel "C14-C18 en C16-C18 onverzadigd alkylamine-ethoxylaat"@nl .
csc:CHEMONTID_0004718
skos:narrower csc:NTHXOOBQLCIOLC-UHFFFAOYSA-N .
csc:DDMOUSALMHHKOS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6429 ;
dbo:casNumber "1320-37-2" , "76-14-2" ;
dbo:formula "C2Cl2F4" ;
dbo:inchi "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8" ;
dbo:iupacName "1,2-Dichloro-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "6429"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)(F)Cl" ;
dbp:inchikey "InChIKey=DDMOUSALMHHKOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK114" ;
skos:prefLabel "1,2-dichloortetrafluorethaan"@nl .
csc:DJDSLBVSSOQSLW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20393 ;
dbo:casNumber "4376-20-9" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)" ;
dbo:iupacName "2-(2-ethylhexoxycarbonyl)benzoic acid"@en ;
dbo:pubchem "20393"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O" ;
dbp:inchikey "InChIKey=DJDSLBVSSOQSLW-UHFFFAOYSA-N" ;
skos:altLabel "monoethylhexylftalaat (mehp)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MEHP" ;
skos:prefLabel "monoethylhexylftalaat (MEHP)"@nl .
csc:DTOSIQBPPRVQHS-IUQGRGSQSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5282822 ;
dbo:casNumber "1955-33-5" , "85392-75-2" , "463-40-1" , "28290-79-1" ;
dbo:formula "C18H30O2" ;
dbo:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+" ;
dbo:iupacName "['Octadeca-9,12,15-trienoic acid', '(9E,12E,15E)-octadeca-9,12,15-trienoic acid']"@en ;
dbo:pubchem "5282822"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=DTOSIQBPPRVQHS-IUQGRGSQSA-N" ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alnlzr" ;
skos:prefLabel "alfa-linoleenzuur"@nl .
csc:ACGUYXCXAPNIKK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3598 ;
dbo:casNumber "8054-98-6" , "139411-96-4" , "70-30-4" ;
dbo:formula "C13H6Cl6O2" ;
dbo:inchi "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2" ;
dbo:iupacName "3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "3598"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl" ;
dbp:inchikey "InChIKey=ACGUYXCXAPNIKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClfn" ;
skos:prefLabel "hexachloorfeen"@nl .
csc:KIWUVOGUEXMXSV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8860 ;
dbo:casNumber "38895-62-4" , "6913-23-1" , "141-84-4" ;
dbo:formula "C3H3NOS2" ;
dbo:inchi "InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)" ;
dbo:iupacName "2-sulfanylidene-1,3-thiazolidin-4-one"@en ;
dbo:pubchem "8860"^^xsd:int ;
dbo:smiles "C1C(=O)N=C(S1)S" ;
dbp:inchikey "InChIKey=KIWUVOGUEXMXSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001923 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rhodnne" ;
skos:prefLabel "rhodanine"@nl .
csc:FUNUTBJJKQIVSY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7254 ;
dbo:casNumber "95-73-8" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3" ;
dbo:iupacName "2,4-Dichloro-1-methylbenzene"@en ;
dbo:pubchem "7254"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=FUNUTBJJKQIVSY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClTol" ;
skos:prefLabel "2,4-dichloortolueen"@nl .
csc:QIQXTHQIDYTFRH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281 ;
dbo:casNumber "8039-52-9" , "82497-27-6" , "134503-33-6" , "8039-53-0" , "8039-51-8" , "57-11-4" , "8037-40-9" , "30399-84-9" , "68937-76-8" , "57485-56-0" , "8037-83-0" , "8023-06-1" , "8039-54-1" , "8013-28-3" , "39390-61-9" , "58392-66-8" , "126539-56-8" , "609343-71-7" , "85404-83-7" ;
dbo:formula "C18H36O2" ;
dbo:inchi "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" ;
dbo:iupacName "Octadecanoic acid"@en ;
dbo:pubchem "5281"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=QIQXTHQIDYTFRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18azr" ;
skos:prefLabel "octadecaanzuur"@nl .
csc:ACEKLXZRZOWKRY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:75922 ;
dbo:casNumber "2706-91-4" ;
dbo:formula "C5HF11O3S" ;
dbo:inchi "InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid"@en ;
dbo:pubchem "75922"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F" ;
dbp:inchikey "InChIKey=ACEKLXZRZOWKRY-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-1-pentaansulfonzuur"@nl , "perfluor-n-pentaansulfonzuur"@nl , "perfluor-n-pentaansulfonzuur (pfpes)"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFC5asfzr" ;
skos:prefLabel "perfluorpentaansulfonzuur (pfpes)"@nl .
csc:DEIGXXQKDWULML-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18529 ;
dbo:casNumber "3194-55-6" , "23774-70-1" ;
dbo:formula "C12H18Br6" ;
dbo:inchi "InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2" ;
dbo:iupacName "1,2,5,6,9,10-HEXABROMOCYCLODODECANE"@en ;
dbo:pubchem "18529"^^xsd:int ;
dbo:smiles "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=DEIGXXQKDWULML-UHFFFAOYSA-N" ;
skos:altLabel "hexabroomcyclododecaan (hbcd)"@nl , "hexabroomcyclododecaan"@nl ;
skos:broader csc:CHEMONTID_0001515 ;
skos:exactMatch wise:CAS_3194-55-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sHBCD" ;
skos:prefLabel "som 1,2,5,6,9,10-hexabroomcyclododecaan"@nl ;
vcs:vmmParameterId "939"^^xsd:int .
csc:OAICVXFJPJFONN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5462309 ;
dbo:casNumber "7723-14-0" ;
dbo:formula "P" ;
dbo:inchi "InChI=1S/P" ;
dbo:iupacName "Phosphorus"@en ;
dbo:pubchem "5462309"^^xsd:int ;
dbo:smiles "[P]" ;
dbp:inchikey "InChIKey=OAICVXFJPJFONN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_010 ;
skos:broader csc:CHEMONTID_0000434 ;
skos:exactMatch wise:CAS_7723-14-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "fosfor"@nl ;
vcs:vmmParameterId "1780"^^xsd:int , "28"^^xsd:int , "29"^^xsd:int , "30"^^xsd:int , "501"^^xsd:int , "503"^^xsd:int , "1261"^^xsd:int , "27"^^xsd:int .
csc:CHEMONTID_0000175
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000175 ;
skos:definition "Lipids formed by joining fatty acids to glycerol by ester bonds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000175" ;
skos:prefLabel "Glycerolipids"@en .
csc:ZRSNZINYAWTAHE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31244 ;
dbo:casNumber "26249-15-0" , "68894-36-0" , "123-11-5" , "50984-52-6" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3" ;
dbo:iupacName "4-Methoxybenzaldehyde"@en ;
dbo:pubchem "31244"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C=O" ;
dbp:inchikey "InChIKey=ZRSNZINYAWTAHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1oxbzAh" ;
skos:prefLabel "4-methoxybenzaldehyde"@nl .
csc:TUAMRELNJMMDMT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7948 ;
dbo:casNumber "108-68-9" , "50356-23-5" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3" ;
dbo:iupacName "3,5-Dimethylphenol"@en ;
dbo:pubchem "7948"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)O)C" ;
dbp:inchikey "InChIKey=TUAMRELNJMMDMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001273 ;
skos:exactMatch wise:CAS_108-68-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yFol" ;
skos:prefLabel "3,5-dimethylfenol"@nl ;
vcs:vmmParameterId "712"^^xsd:int .
csc:CHEMONTID_0004776
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004776 ;
skos:definition "Organic compounds having the nitroso group, -NO, attached to carbon, or to another element, most commonly nitrogen or oxygen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004776" ;
skos:prefLabel "Organic nitroso compounds"@en .
csc:WIGIZIANZCJQQY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3476 ;
dbo:casNumber "93479-97-1" ;
dbo:formula "C24H34N4O5S" ;
dbo:inchi "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)" ;
dbo:iupacName "3-ethyl-4-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide"@en ;
dbo:pubchem "3476"^^xsd:int ;
dbo:smiles "CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C" ;
dbp:inchikey "InChIKey=WIGIZIANZCJQQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glimprde" ;
skos:prefLabel "glimepiride"@nl .
csc:ZYHJQFMTTFCBKH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17629 ;
dbo:casNumber "2719-62-2" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-6-ylbenzene"@en ;
dbo:pubchem "17629"^^xsd:int ;
dbo:smiles "CCCCCCC(CCCCC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=ZYHJQFMTTFCBKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6FyC12a" ;
skos:prefLabel "6-fenyldodecaan"@nl .
csc:LHHMNJZNWUJFOC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8296 ;
dbo:casNumber "115-98-0" , "122681-86-1" , "53569-58-7" ;
dbo:formula "C6H11Cl2O3P" ;
dbo:inchi "InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2" ;
dbo:iupacName "1-[bis(2-chloroethoxy)phosphoryl]ethene"@en ;
dbo:pubchem "8296"^^xsd:int ;
dbo:smiles "C=CP(=O)(OCCCl)OCCCl" ;
dbp:inchikey "InChIKey=LHHMNJZNWUJFOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2ClC2yetn" ;
skos:prefLabel "bis(2-chloorethyl)ethenylfosfonaat"@nl .
csc:CHEMONTID_0002948
skos:narrower csc:QDNMBJXNLJFNHT-UHFFFAOYSA-N , csc:KBOPZPXVLCULAV-UHFFFAOYSA-N .
csc:UAUDZVJPLUQNMU-KTKRTIGZSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5365371 ;
dbo:casNumber "112-84-5" , "116749-29-2" , "80399-99-1" , "93050-58-9" ;
dbo:formula "C22H43NO" ;
dbo:inchi "InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-" ;
dbo:iupacName "(Z)-Docos-13-enamide"@en ;
dbo:pubchem "5365371"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCC(=O)N" ;
dbp:inchikey "InChIKey=UAUDZVJPLUQNMU-KTKRTIGZSA-N" ;
skos:altLabel "cis-13-docosenamide"@nl ;
skos:broader csc:CHEMONTID_0000331 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c13C22eAd" ;
skos:prefLabel "cis-13-Docosenamide"@nl .
csc:LJYOFQHKEWTQRH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4964 ;
dbo:casNumber "2491-38-5" ;
dbo:formula "C8H7BrO2" ;
dbo:inchi "InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2" ;
dbo:iupacName "2-bromo-1-(4-hydroxyphenyl)ethanone"@en ;
dbo:pubchem "4964"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)CBr)O" ;
dbp:inchikey "InChIKey=LJYOFQHKEWTQRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Br14HOFyC2a" ;
skos:prefLabel "2-broom-1-(4-hydroxyfenyl)ethaan-1-on"@nl .
csc:DTAPQAJKAFRNJB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17516 ;
dbo:casNumber "31677-56-2" , "2631-37-0" , "4111-89-1" ;
dbo:formula "C12H17NO2" ;
dbo:inchi "InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)" ;
dbo:iupacName "(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17516"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)OC(=O)NC)C(C)C" ;
dbp:inchikey "InChIKey=DTAPQAJKAFRNJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promcb" ;
skos:prefLabel "promecarb"@nl .
csc:CHEMONTID_0001238
skos:narrower csc:WMOVHXAZOJBABW-UHFFFAOYSA-N , csc:VXQBJTKSVGFQOL-UHFFFAOYSA-N , csc:MLFHJEHSLIIPHL-UHFFFAOYSA-N , csc:PGMYKACGEOXYJE-UHFFFAOYSA-N , csc:FINOAUDUYKVGDS-UHFFFAOYSA-N , csc:TZIHFWKZFHZASV-UHFFFAOYSA-N , csc:YXISVHDWGVMPGJ-UHFFFAOYSA-N , csc:NQBXSWAWVZHKBZ-UHFFFAOYSA-N , csc:XLLIQLLCWZCATF-UHFFFAOYSA-N , csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N , csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N , csc:BTZVKSVLFLRBRE-UHFFFAOYSA-N , csc:CURUTKGFNZGFSE-UHFFFAOYSA-N , csc:LIPRQQHINVWJCH-UHFFFAOYSA-N , csc:DAFHKNAQFPVRKR-UHFFFAOYSA-N , csc:SVONRAPFKPVNKG-UHFFFAOYSA-N , csc:LLHKCFNBLRBOGN-UHFFFAOYSA-N , csc:JMMWKPVZQRWMSS-UHFFFAOYSA-N , csc:DCKVNWZUADLDEH-UHFFFAOYSA-N , csc:ZAXXZBQODQDCOW-UHFFFAOYSA-N , csc:YKYONYBAUNKHLG-UHFFFAOYSA-N , csc:GJRQTCIYDGXPES-UHFFFAOYSA-N .
csc:VUVGYHUDAICLFK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30318 ;
dbo:casNumber "7446-13-1" , "12060-19-4" , "20816-12-0" ;
dbo:formula "O4Os" ;
dbo:inchi "InChI=1S/4O.Os" ;
dbo:iupacName "tetraoxoosmium"@en ;
dbo:pubchem "30318"^^xsd:int ;
dbo:smiles "O=[Os](=O)(=O)=O" ;
dbp:inchikey "InChIKey=VUVGYHUDAICLFK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OsT4O" ;
skos:prefLabel "osmium tetraoxide"@nl .
csc:WIIZWVCIJKGZOK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:298 ;
dbo:casNumber "56-75-7" , "579-51-1" ;
dbo:formula "C11H12Cl2N2O5" ;
dbo:inchi "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)" ;
dbo:iupacName "2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "298"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=WIIZWVCIJKGZOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clafncl" ;
skos:prefLabel "chlooramfenicol"@nl .
csc:MNWBNISUBARLIT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8929 ;
dbo:casNumber "25596-52-5" , "143-33-9" , "13998-03-3" ;
dbo:formula "CNNa" ;
dbo:inchi "InChI=1S/CN.Na/c1-2;/q-1;+1" ;
dbo:iupacName "Sodium cyanide"@en ;
dbo:pubchem "8929"^^xsd:int ;
dbo:smiles "[C-]#N.[Na+]" ;
dbp:inchikey "InChIKey=MNWBNISUBARLIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaCN" ;
skos:prefLabel "natriumcyanide"@nl .
csc:CDBYLPFSWZWCQE-UHFFFAOYSA-L
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10340 ;
dbo:casNumber "1332-57-6" , "497-19-8" ;
dbo:formula "CNa2O3" ;
dbo:inchi "InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2" ;
dbo:iupacName "Disodium carbonate"@en ;
dbo:pubchem "10340"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=CDBYLPFSWZWCQE-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2CO3" ;
skos:prefLabel "natriumcarbonaat"@nl .
csc:XYLMUPLGERFSHI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7407 ;
dbo:casNumber "42612-14-6" , "25014-31-7" , "98-83-9" ;
dbo:formula "C9H10" ;
dbo:inchi "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3" ;
dbo:iupacName "prop-1-en-2-ylbenzene"@en ;
dbo:pubchem "7407"^^xsd:int ;
dbo:smiles "CC(=C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=XYLMUPLGERFSHI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "alfa-methylstyreen"@nl ;
skos:broader csc:CHEMONTID_0000045 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aC1ysrn" ;
skos:prefLabel "isopropenylbenzeen (alfa-methylstyreen)"@nl .
csc:HSUGRBWQSSZJOP-RTWAWAEBSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:39186 ;
dbo:casNumber "42399-41-7" ;
dbo:formula "C22H26N2O4S" ;
dbo:inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1" ;
dbo:iupacName "[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate"@en ;
dbo:pubchem "39186"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC" ;
dbp:inchikey "InChIKey=HSUGRBWQSSZJOP-RTWAWAEBSA-N" ;
skos:broader csc:CHEMONTID_0000317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "diltazm" ;
skos:prefLabel "diltiazem"@nl .
csc:URKOMYMAXPYINW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5002 ;
dbo:casNumber "111974-69-7" ;
dbo:formula "C21H25N3O2S" ;
dbo:inchi "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2" ;
dbo:iupacName "2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol"@en ;
dbo:pubchem "5002"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42" ;
dbp:inchikey "InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000055 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quetpne" ;
skos:prefLabel "quetiapine"@nl .
csc:QMVPMAAFGQKVCJ-SNVBAGLBSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:101977 ;
dbo:casNumber "106-22-9" , "1117-61-9" ;
dbo:formula "C10H20O" ;
dbo:inchi "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1" ;
dbo:iupacName "(3R)-3,7-dimethyloct-6-en-1-ol"@en ;
dbo:pubchem "101977"^^xsd:int ;
dbo:smiles "CC(CCC=C(C)C)CCO" ;
dbp:inchikey "InChIKey=QMVPMAAFGQKVCJ-SNVBAGLBSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "citnll" ;
skos:prefLabel "citronellol"@nl .
csc:ARERIMFZYPFJAV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38386 ;
dbo:casNumber "40088-47-9" , "115633-92-6" , "82458-12-6" ;
dbo:formula "C12H6Br4O" ;
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H" ;
dbo:iupacName "1,2,3-tribromo-4-(4-bromophenoxy)benzene"@en ;
dbo:pubchem "38386"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=ARERIMFZYPFJAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_40088-47-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tetrabroomdifenylether"@nl ;
vcs:vmmParameterId "1458"^^xsd:int .
csc:QKICWELGRMTQCR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:64927 ;
dbo:casNumber "50-63-5" , "6384-82-3" , "69698-56-2" ;
dbo:formula "C18H32ClN3O8P2" ;
dbo:inchi "InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)" ;
dbo:iupacName "N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphoric acid"@en ;
dbo:pubchem "64927"^^xsd:int ;
dbo:smiles "CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O" ;
dbp:inchikey "InChIKey=QKICWELGRMTQCR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004537 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClqnDFO4" ;
skos:prefLabel "chloorquinedifosfaat"@nl .
csc:CHEMONTID_0003528
skos:narrower csc:JUVIOZPCNVVQFO-HBGVWJBISA-N .
csc:MNEXVZFQQPKDHC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86998 ;
dbo:casNumber "68259-12-1" ;
dbo:formula "C9HF19O3S" ;
dbo:inchi "InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid"@en ;
dbo:pubchem "86998"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=MNEXVZFQQPKDHC-UHFFFAOYSA-N" ;
skos:altLabel "perfluornonaan-1-sulfonzuur"@nl , "perfluor-n-nonaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFC9asfzr" ;
skos:prefLabel "perfluor-n-nonaansulfonzuur (pfns)"@nl .
csc:CHEMONTID_0001302
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001302 ;
skos:definition "Organic compounds containing phosphonic acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UDPGUMQDCGORJQ-UHFFFAOYSA-N , csc:STNSYZSNIYTNMI-UHFFFAOYSA-N , csc:MGRVRXRGTBOSHW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001302" ;
skos:prefLabel "Organic phosphonic acids"@en .
csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433227 ;
dbo:casNumber "33213-66-0" , "959-98-8" , "12640-58-3" , "19595-59-6" , "29106-31-8" ;
dbo:formula "C9H6Cl6O3S" ;
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1" ;
dbo:iupacName "(2R,8S,9R)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en ;
dbo:pubchem "6433227"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RDYMFSUJUZBWLH-GDSHQCHSSA-N" ;
skos:broader csc:CHEMONTID_0002074 ;
skos:exactMatch wise:CAS_959-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aedsfn" ;
skos:prefLabel "alfa-endosulfan"@nl ;
vcs:vmmParameterId "236"^^xsd:int .
csc:GKQHIYSTBXDYNQ-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7717 ;
dbo:casNumber "104-74-5" , "104-73-4" , "138870-69-6" ;
dbo:formula "C17H30ClN" ;
dbo:inchi "InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "1-dodecylpyridin-1-ium chloride"@en ;
dbo:pubchem "7717"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=GKQHIYSTBXDYNQ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C12yprdnCl" ;
skos:prefLabel "1-dodecylpyridinium chloride"@nl .
csc:UEBFLTZXUXZPJO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:139575 ;
dbo:casNumber "13750-81-7" ;
dbo:formula "C5H6N2O" ;
dbo:inchi "InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3" ;
dbo:iupacName "1-methylimidazole-2-carbaldehyde"@en ;
dbo:pubchem "139575"^^xsd:int ;
dbo:smiles "CN1C=CN=C1C=O" ;
dbp:inchikey "InChIKey=UEBFLTZXUXZPJO-UHFFFAOYSA-N" ;
skos:altLabel "1-methyl-1H-imidazool-2-carbaldehyde"@nl ;
skos:broader csc:CHEMONTID_0003213 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y1Himdz2c" ;
skos:prefLabel "1-methyl-1h-imidazool-2-carbaldehyde"@nl .
csc:CHEMONTID_0003671
skos:narrower csc:IGJQUJNPMOYEJY-UHFFFAOYSA-N , csc:IEMMBWWQXVXBEU-UHFFFAOYSA-N .
csc:CHEMONTID_0002444
skos:narrower csc:ZRKWMRDKSOPRRS-UHFFFAOYSA-N .
csc:QGTYWWGEWOBMAK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32739 ;
dbo:casNumber "24934-91-6" ;
dbo:formula "C5H12ClO2PS2" ;
dbo:inchi "InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3" ;
dbo:iupacName "chloromethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "32739"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCl" ;
dbp:inchikey "InChIKey=QGTYWWGEWOBMAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clmfs" ;
skos:prefLabel "chloormefos"@nl .
csc:MCOQHIWZJUDQIC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7551 ;
dbo:casNumber "101-27-9" ;
dbo:formula "C11H9Cl2NO2" ;
dbo:inchi "InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)" ;
dbo:iupacName "4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "7551"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl" ;
dbp:inchikey "InChIKey=MCOQHIWZJUDQIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "barbn" ;
skos:prefLabel "barban"@nl .
csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24723 ;
dbo:casNumber "126-75-0" ;
dbo:formula "C8H19O3PS2" ;
dbo:inchi "InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane"@en ;
dbo:pubchem "24723"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCCSCC" ;
dbp:inchikey "InChIKey=GRPRVIYRYGLIJU-UHFFFAOYSA-N" ;
skos:altLabel "demeton-s"@nl ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_126-75-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtnS" ;
skos:prefLabel "demeton-S"@nl ;
vcs:vmmParameterId "729"^^xsd:int .
csc:SHXWCVYOXRDMCX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1615 ;
dbo:casNumber "69610-10-2" , "42542-10-9" , "54946-52-0" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine"@en ;
dbo:pubchem "1615"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)NC" ;
dbp:inchikey "InChIKey=SHXWCVYOXRDMCX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxmaf" ;
skos:prefLabel "3,4-methyleendioxymethamfetamine"@nl .
csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6294 ;
dbo:casNumber "72-54-8" ;
dbo:formula "C14H10Cl4" ;
dbo:inchi "InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "6294"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=AHJKRLASYNVKDZ-UHFFFAOYSA-N" ;
skos:altLabel "pp'dichloordifenyldichloorethaan"@nl , "4,4'-dichloordifenyldichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-54-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DDD" ;
skos:prefLabel "p,p’-ddd"@nl ;
vcs:vmmParameterId "261"^^xsd:int .
csc:SGZRQMALQBXAIQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16037 ;
dbo:casNumber "13392-18-2" ;
dbo:formula "C17H22BrNO4" ;
dbo:inchi "InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H" ;
dbo:iupacName "[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide"@en ;
dbo:pubchem "16037"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]" ;
dbp:inchikey "InChIKey=SGZRQMALQBXAIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentrl" ;
skos:prefLabel "fenoterol"@nl .
csc:GSNZNZUNAJCHDO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18870 ;
dbo:casNumber "3408-97-7" ;
dbo:formula "C9H11BrN2O" ;
dbo:inchi "InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-bromophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "18870"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Br" ;
dbp:inchikey "InChIKey=GSNZNZUNAJCHDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brmrn" ;
skos:prefLabel "bromuron"@nl .
csc:WTEVQBCEXWBHNA-JXMROGBWSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:638011 ;
dbo:casNumber "37350-34-8" , "96680-15-8" , "8022-94-4" , "141-27-5" , "5392-40-5" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+" ;
dbo:iupacName "['(2E)-3,7-dimethylocta-2,6-dienal', '3,7-dimethylocta-2,6-dienal']"@en ;
dbo:pubchem "638011"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CC=O)C)C" ;
dbp:inchikey "InChIKey=WTEVQBCEXWBHNA-JXMROGBWSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "citl" ;
skos:prefLabel "citral"@nl .
csc:CHEMONTID_0000133
skos:narrower csc:CBLVUXPPNHUKDE-QBFSEMIESA-N .
csc:BXPMAGSOWXBZHS-WEVVVXLNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9568700 ;
dbo:casNumber "1646-87-3" ;
dbo:formula "C7H14N2O3S" ;
dbo:inchi "InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "[(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9568700"^^xsd:int ;
dbo:smiles "CC(C)(C=NOC(=O)NC)S(=O)C" ;
dbp:inchikey "InChIKey=BXPMAGSOWXBZHS-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alDcSO" ;
skos:prefLabel "aldicarbsulfoxide"@nl .
csc:NIQCNGHVCWTJSM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8554 ;
dbo:casNumber "131-11-3" , "64441-70-9" ;
dbo:formula "C10H10O4" ;
dbo:inchi "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8554"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1C(=O)OC" ;
dbp:inchikey "InChIKey=NIQCNGHVCWTJSM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_131-11-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yFt" ;
skos:prefLabel "dimethylftalaat"@nl ;
vcs:vmmParameterId "68"^^xsd:int .
csc:YLQWCDOCJODRMT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10241 ;
dbo:casNumber "486-25-9" ;
dbo:formula "C13H8O" ;
dbo:inchi "InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H" ;
dbo:iupacName "Fluoren-9-one"@en ;
dbo:pubchem "10241"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3C2=O" ;
dbp:inchikey "InChIKey=YLQWCDOCJODRMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9fluornn" ;
skos:prefLabel "9-fluorenon"@nl .
csc:GMTWWEPBGGXBTO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:151371 ;
dbo:casNumber "57226-68-3" , "56161-73-0" ;
dbo:formula "C16H17ClF3NO" ;
dbo:inchi "InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H" ;
dbo:iupacName "3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride"@en ;
dbo:pubchem "151371"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.Cl" ;
dbp:inchikey "InChIKey=GMTWWEPBGGXBTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfoxtneHCL" ;
skos:prefLabel "norfluoxetine hydrochloride"@nl .
csc:WWJZWCUNLNYYAU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5392 ;
dbo:casNumber "53320-58-4" , "3383-96-8" ;
dbo:formula "C16H20O6P2S3" ;
dbo:inchi "InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3" ;
dbo:iupacName "[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "5392"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=WWJZWCUNLNYYAU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "temfs" ;
skos:prefLabel "temefos"@nl .
csc:CHEMONTID_0004734
skos:narrower csc:WJNRPILHGGKWCK-UHFFFAOYSA-N , csc:PXWUKZGIHQRDHL-UHFFFAOYSA-N , csc:IVENSCMCQBJAKW-UHFFFAOYSA-N , csc:HSYISQLUXXBNFW-UHFFFAOYSA-N , csc:HFBWPRKWDIRYNX-UHFFFAOYSA-N , csc:DFWFIQKMSFGDCQ-UHFFFAOYSA-N , csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N , csc:BCQMBFHBDZVHKU-UHFFFAOYSA-N .
csc:PQNFLJBBNBOBRQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10326 ;
dbo:casNumber "496-11-7" , "56573-11-6" ;
dbo:formula "C9H10" ;
dbo:inchi "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2" ;
dbo:iupacName "2,3-Dihydro-1H-indene"@en ;
dbo:pubchem "10326"^^xsd:int ;
dbo:smiles "C1CC2=CC=CC=C2C1" ;
dbp:inchikey "InChIKey=PQNFLJBBNBOBRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "inda" ;
skos:prefLabel "indaan"@nl .
csc:NKDDWNXOKDWJAK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8020 ;
dbo:casNumber "109-87-5" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3" ;
dbo:iupacName "Dimethoxymethane"@en ;
dbo:pubchem "8020"^^xsd:int ;
dbo:smiles "COCOC" ;
dbp:inchikey "InChIKey=NKDDWNXOKDWJAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1oxC1a" ;
skos:prefLabel "dimethoxymethaan"@nl .
csc:CHEMONTID_0001275
skos:narrower csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N , csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N , csc:FDQQNNZKEJIHMS-UHFFFAOYSA-N , csc:BPRYUXCVCCNUFE-UHFFFAOYSA-N .
csc:PGMZYNZXIYOOHJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62526 ;
dbo:casNumber "3861-41-4" ;
dbo:formula "C11H9Br2NO2" ;
dbo:inchi "InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3" ;
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) butanoate"@en ;
dbo:pubchem "62526"^^xsd:int ;
dbo:smiles "CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br" ;
dbp:inchikey "InChIKey=PGMZYNZXIYOOHJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromxnbtrt" ;
skos:prefLabel "bromoxynil butyraat"@nl .
csc:UAOMVDZJSHZZME-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7912 ;
dbo:casNumber "108-18-9" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3" ;
dbo:iupacName "N-propan-2-ylpropan-2-amine"@en ;
dbo:pubchem "7912"^^xsd:int ;
dbo:smiles "CC(C)NC(C)C" ;
dbp:inchikey "InChIKey=UAOMVDZJSHZZME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yAe" ;
skos:prefLabel "diisopropylamine"@nl .
csc:CHEMONTID_0000048
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000048 ;
skos:definition "Polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LTMQZVLXCLQPCT-UHFFFAOYSA-N , csc:FDTQTOKRWQJRAC-UHFFFAOYSA-N , csc:JRUGFHHEKLYFPC-UHFFFAOYSA-N , csc:DNRJTBAOUJJKDY-UHFFFAOYSA-N , csc:YXOVIGZJPGLNGM-UHFFFAOYSA-N , csc:CXWXQJXEFPUFDZ-UHFFFAOYSA-N , csc:KSEZPRJUTHMFGZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000048" ;
skos:prefLabel "Tetralins"@en .
csc:QHPQWRBYOIRBIT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7393 ;
dbo:casNumber "98-54-4" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3" ;
dbo:iupacName "4-tert-Butylphenol"@en ;
dbo:pubchem "7393"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=QHPQWRBYOIRBIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC4yFol" ;
skos:prefLabel "4-tertiair-butylfenol"@nl .
csc:GGSUCNLOZRCGPQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7061 ;
dbo:casNumber "91-66-7" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3" ;
dbo:iupacName "N,N-Diethylaniline"@en ;
dbo:pubchem "7061"^^xsd:int ;
dbo:smiles "CCN(CC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=GGSUCNLOZRCGPQ-UHFFFAOYSA-N" ;
skos:altLabel "n,n-diethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC2yAn" ;
skos:prefLabel "N,N-diethylaniline"@nl .
csc:CJHXCRMKMMBYJQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21290 ;
dbo:casNumber "5221-53-4" ;
dbo:formula "C11H19N3O" ;
dbo:inchi "InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)" ;
dbo:iupacName "5-butyl-2-dimethylamino-6-methyl-1H-pyrimidin-4-one"@en ;
dbo:pubchem "21290"^^xsd:int ;
dbo:smiles "CCCCC1=C(NC(=NC1=O)N(C)C)C" ;
dbp:inchikey "InChIKey=CJHXCRMKMMBYJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtrml" ;
skos:prefLabel "dimethirimol"@nl .
csc:HOPRIFATEWRIEO-YSKRITFZSA-J
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9570116 ;
dbo:casNumber "179472-56-1" , "116675-43-5" , "2602-46-2" ;
dbo:formula "C32H20N6Na4O14S4" ;
dbo:inchi "InChI=1S/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b37-29+,38-30+;;;;" ;
dbo:iupacName "tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "9570116"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=HOPRIFATEWRIEO-YSKRITFZSA-J" ;
skos:altLabel "C.I. Direct Blue 6"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbe6" ;
skos:prefLabel "c.i. direct blue 6"@nl .
csc:CNFMJLVJDNGPHR-UKTHLTGXSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437842 ;
dbo:casNumber "76608-88-3" ;
dbo:formula "C15H25N3O" ;
dbo:inchi "InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+" ;
dbo:iupacName "['1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol']"@en ;
dbo:pubchem "6437842"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(=CC1CCCCC1)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=CNFMJLVJDNGPHR-UKTHLTGXSA-N" ;
skos:broader csc:CHEMONTID_0000099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Taptnl" ;
skos:prefLabel "triapentenol"@nl .
csc:XMGQYMWWDOXHJM-SNVBAGLBSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:439250 ;
dbo:casNumber "5989-54-8" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1" ;
dbo:iupacName "(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "439250"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "InChIKey=XMGQYMWWDOXHJM-SNVBAGLBSA-N" ;
skos:altLabel "1-methyl-4-(1-methylethenyl)-,(S)-cyclohexeen"@nl ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y41C1yetn" ;
skos:prefLabel "1-methyl-4-(1-methylethenyl)-,(s)-cyclohexeen"@nl .
csc:VUMCUSHVMYIRMB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12860 ;
dbo:casNumber "717-74-8" , "27322-34-5" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3" ;
dbo:iupacName "1,3,5-tri(propan-2-yl)benzene"@en ;
dbo:pubchem "12860"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C" ;
dbp:inchikey "InChIKey=VUMCUSHVMYIRMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TiC3yBen" ;
skos:prefLabel "1,3,5-triisopropylbenzeen"@nl .
csc:PWATWSYOIIXYMA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10864 ;
dbo:casNumber "538-68-1" , "74296-33-6" , "27458-20-4" ;
dbo:formula "C11H16" ;
dbo:inchi "InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3" ;
dbo:iupacName "Pentylbenzene"@en ;
dbo:pubchem "10864"^^xsd:int ;
dbo:smiles "CCCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=PWATWSYOIIXYMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5yBen" ;
skos:prefLabel "pentylbenzeen"@nl .
csc:JXTPJDDICSTXJX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12535 ;
dbo:casNumber "638-68-6" ;
dbo:formula "C30H62" ;
dbo:inchi "InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3" ;
dbo:iupacName "TRIACONTANE"@en ;
dbo:pubchem "12535"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=JXTPJDDICSTXJX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C30a" ;
skos:prefLabel "triacontaan"@nl .
csc:CHEMONTID_0003565
skos:narrower csc:MBIPADCEHSKJDQ-UHFFFAOYSA-N .
csc:HSUIVCLOAAJSRE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8344 ;
dbo:casNumber "117-82-8" ;
dbo:formula "C14H18O6" ;
dbo:inchi "InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3" ;
dbo:iupacName "bis(2-methoxyethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8344"^^xsd:int ;
dbo:smiles "COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC" ;
dbp:inchikey "InChIKey=HSUIVCLOAAJSRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2C1oxC2yFt" ;
skos:prefLabel "di-(2-methoxyethyl)ftalaat"@nl .
csc:CHEMONTID_0002338
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002338 ;
skos:definition "Polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FIADGNVRKBPQEU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002338" ;
skos:prefLabel "Cycloheptathiophenes"@en .
csc:BBXXLROWFHWFQY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:32152 ;
dbo:casNumber "23947-60-6" ;
dbo:formula "C11H19N3O" ;
dbo:inchi "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)" ;
dbo:iupacName "5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one"@en ;
dbo:pubchem "32152"^^xsd:int ;
dbo:smiles "CCCCC1=C(NC(=NC1=O)NCC)C" ;
dbp:inchikey "InChIKey=BBXXLROWFHWFQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004161 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etrml" ;
skos:prefLabel "ethirimol"@nl .
csc:CHEMONTID_0000112
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000112 ;
skos:definition "Compounds comprising the hydrazine functional group, with the general formula R1R2NNR3R4."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000112" ;
skos:prefLabel "Hydrazines and derivatives"@en .
csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4171 ;
dbo:casNumber "54163-88-1" , "51384-51-1" , "37350-58-6" ;
dbo:formula "C15H25NO3" ;
dbo:inchi "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3" ;
dbo:iupacName "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4171"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O" ;
dbp:inchikey "InChIKey=IUBSYMUCCVWXPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:exactMatch wise:CAS_37350-58-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpll" ;
skos:prefLabel "metoprolol"@nl ;
vcs:vmmParameterId "1404"^^xsd:int .
csc:CHEMONTID_0004713
skos:narrower csc:IKVXBIIHQGXQRQ-CYBMUJFWSA-N , csc:SLCGUGMPSUYJAY-UHFFFAOYSA-N , csc:JYWIYHUXVMAGLG-UHFFFAOYSA-N , csc:PTCGDEVVHUXTMP-UHFFFAOYSA-N , csc:LJOZMWRYMKECFF-UHFFFAOYSA-N , csc:LGCMKPRGGJRYGM-UHFFFAOYSA-N , csc:ZGNITFSDLCMLGI-UHFFFAOYSA-N , csc:IKVXBIIHQGXQRQ-UHFFFAOYSA-N , csc:WZZRJCUYSKKFHO-UHFFFAOYSA-N , csc:RBNIGDFIUWJJEV-UHFFFAOYSA-N , csc:BCTQJXQXJVLSIG-UHFFFAOYSA-N .
csc:OIJHFHYPXWSVPF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9074 ;
dbo:casNumber "156-10-5" ;
dbo:formula "C12H10N2O" ;
dbo:inchi "InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H" ;
dbo:iupacName "4-Nitroso-N-phenylaniline"@en ;
dbo:pubchem "9074"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O" ;
dbp:inchikey "InChIKey=OIJHFHYPXWSVPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2sDFyAe" ;
skos:prefLabel "4-nitrosodifenylamine"@nl .
csc:OYPRJOBELJOOCE-RKEGKUSMSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335803 ;
dbo:casNumber "14391-99-2" ;
dbo:formula "Ca" ;
dbo:inchi "InChI=1S/Ca/i1+7" ;
dbo:iupacName "calcium-47"@en ;
dbo:pubchem "6335803"^^xsd:int ;
dbo:smiles "[Ca]" ;
dbp:inchikey "InChIKey=OYPRJOBELJOOCE-RKEGKUSMSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ca47" ;
skos:prefLabel "calcium 47"@nl .
csc:WBNQDOYYEUMPFS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5921 ;
dbo:casNumber "55-18-5" ;
dbo:formula "C4H10N2O" ;
dbo:inchi "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3" ;
dbo:iupacName "N,N-diethylnitrous amide"@en ;
dbo:pubchem "5921"^^xsd:int ;
dbo:smiles "CCN(CC)N=O" ;
dbp:inchikey "InChIKey=WBNQDOYYEUMPFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yNOAe" ;
skos:prefLabel "diethylnitrosamine"@nl .
csc:XUGNVMKQXJXZCD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8907 ;
dbo:casNumber "142-91-6" ;
dbo:formula "C19H38O2" ;
dbo:inchi "InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3" ;
dbo:iupacName "propan-2-yl hexadecanoate"@en ;
dbo:pubchem "8907"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OC(C)C" ;
dbp:inchikey "InChIKey=XUGNVMKQXJXZCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3ypmtt" ;
skos:prefLabel "isopropylpalmitaat"@nl .
csc:WQEPLUUGTLDZJY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13849 ;
dbo:casNumber "1002-84-2" ;
dbo:formula "C15H30O2" ;
dbo:inchi "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)" ;
dbo:iupacName "Pentadecanoic acid"@en ;
dbo:pubchem "13849"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=WQEPLUUGTLDZJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C15azr" ;
skos:prefLabel "pentadecaanzuur"@nl .
csc:CHEMONTID_0000027
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000027 ;
skos:definition "Compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VDBHOHJWUDKDRW-UHFFFAOYSA-N , csc:IKTHMQYJOWTSJO-UHFFFAOYSA-N , csc:IMRYETFJNLKUHK-UHFFFAOYSA-N , csc:PQNFLJBBNBOBRQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000027" ;
skos:prefLabel "Indanes"@en .
csc:BODRLKRKPXBDBN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18938 ;
dbo:casNumber "201404-81-1" , "3452-97-9" , "140237-16-7" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3" ;
dbo:iupacName "3,5,5-Trimethylhexan-1-ol"@en ;
dbo:pubchem "18938"^^xsd:int ;
dbo:smiles "CC(CCO)CC(C)(C)C" ;
dbp:inchikey "InChIKey=BODRLKRKPXBDBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "355TC1y1C6ol" ;
skos:prefLabel "3,5,5-trimethyl-1-hexanol"@nl .
csc:CHEMONTID_0001880
skos:narrower csc:VSZGPKBBMSAYNT-RRFJBIMHSA-N , csc:UGJMXCAKCUNAIE-UHFFFAOYSA-N , csc:PJDFLNIOAUIZSL-UHFFFAOYSA-N , csc:AYXYPKUFHZROOJ-ZETCQYMHSA-N .
csc:FWXSAXJNSVIOLZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62039 ;
dbo:casNumber "53404-37-8" ;
dbo:formula "C16H22Cl2O3" ;
dbo:inchi "InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3" ;
dbo:iupacName "(2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "62039"^^xsd:int ;
dbo:smiles "CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=FWXSAXJNSVIOLZ-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D 2-ethyl-4-methylpentyl ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D2C2y4C1yC" ;
skos:prefLabel "2,4-d 2-ethyl-4-methylpentyl ester"@nl .
csc:CHEMONTID_0004628
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004628 ;
skos:definition "Phenols that carry an alkoxy group at the 4-position of the benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MBGGFXOXUIDRJD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004628" ;
skos:prefLabel "4-alkoxyphenols"@en .
csc:ZSLUVFAKFWKJRC-OIOBTWANSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167312 ;
dbo:casNumber "15594-54-4" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-3" ;
dbo:iupacName "thorium-229"@en ;
dbo:pubchem "167312"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th229" ;
skos:prefLabel "thorium 229"@nl .
csc:CHEMONTID_0002402
skos:narrower csc:PWKSKIMOESPYIA-UHFFFAOYSA-N , csc:ISERORSDFSDMDV-UHFFFAOYSA-N .
csc:HAPOVYFOVVWLRS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3291 ;
dbo:casNumber "77-67-8" ;
dbo:formula "C7H11NO2" ;
dbo:inchi "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)" ;
dbo:iupacName "3-Ethyl-3-methylpyrrolidine-2,5-dione"@en ;
dbo:pubchem "3291"^^xsd:int ;
dbo:smiles "CCC1(CC(=O)NC1=O)C" ;
dbp:inchikey "InChIKey=HAPOVYFOVVWLRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etsimde" ;
skos:prefLabel "ethosuximide"@nl .
csc:WLJVXDMOQOGPHL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:999 ;
dbo:casNumber "103-82-2" , "51146-16-8" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)" ;
dbo:iupacName "2-Phenylacetic acid"@en ;
dbo:pubchem "999"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC(=O)O" ;
dbp:inchikey "InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BenHAc" ;
skos:prefLabel "benzeenazijnzuur"@nl .
csc:XOIQMTLWECTKJL-PDHYURILSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5484043 ;
dbo:casNumber "22136-43-2" , "17090-79-8" ;
dbo:formula "C36H61NaO11" ;
dbo:inchi "InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1" ;
dbo:iupacName "sodium (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate"@en ;
dbo:pubchem "5484043"^^xsd:int ;
dbo:smiles "CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C.[Na+]" ;
dbp:inchikey "InChIKey=XOIQMTLWECTKJL-PDHYURILSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monsn" ;
skos:prefLabel "monensin"@nl .
csc:CWYZDPHNAGSFQB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:88399 ;
dbo:casNumber "20193-21-9" ;
dbo:formula "C7H17N" ;
dbo:inchi "InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3" ;
dbo:iupacName "N-propylbutan-1-amine"@en ;
dbo:pubchem "88399"^^xsd:int ;
dbo:smiles "CCCCNCCC" ;
dbp:inchikey "InChIKey=CWYZDPHNAGSFQB-UHFFFAOYSA-N" ;
skos:altLabel "N-propyl-1-butaanamine"@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC3y1C4aAe" ;
skos:prefLabel "n-propyl-1-butaanamine"@nl .
csc:CHEMONTID_0004771
skos:narrower csc:TZBPRYIIJAJUOY-UHFFFAOYSA-N , csc:QHOQHJPRIBSPCY-UHFFFAOYSA-N , csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N , csc:FGIWFCGDPUIBEZ-UHFFFAOYSA-N , csc:AWYOMXWDGWUJHS-UHFFFAOYSA-N .
csc:CHEMONTID_0003544
skos:narrower csc:NIJJYAXOARWZEE-UHFFFAOYSA-N , csc:IGIDLTISMCAULB-UHFFFAOYSA-N , csc:GWYFCOCPABKNJV-UHFFFAOYSA-N , csc:FGKJLKRYENPLQH-UHFFFAOYSA-N .
csc:XTRDKALNCIHHNI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11813 ;
dbo:casNumber "606-20-2" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "2-Methyl-1,3-dinitrobenzene"@en ;
dbo:pubchem "11813"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XTRDKALNCIHHNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2Tol" ;
skos:prefLabel "2,6-dinitrotolueen"@nl .
csc:CHEMONTID_0002317
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002317 ;
skos:definition "Polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N , csc:VQGHOUODWALEFC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002317" ;
skos:prefLabel "Phenylpyridines"@en .
csc:HMBBJSKXDBUNNT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:42948 ;
dbo:casNumber "67774-32-7" , "59080-40-9" ;
dbo:formula "C12H4Br6" ;
dbo:inchi "InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene"@en ;
dbo:pubchem "42948"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "InChIKey=HMBBJSKXDBUNNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB153" ;
skos:prefLabel "2,2',4,4',5,5'-hexabroombifenyl"@nl .
csc:VLJXXKKOSFGPHI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11507 ;
dbo:casNumber "116502-45-5" , "589-34-4" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3" ;
dbo:iupacName "3-Methylhexane"@en ;
dbo:pubchem "11507"^^xsd:int ;
dbo:smiles "CCCC(C)CC" ;
dbp:inchikey "InChIKey=VLJXXKKOSFGPHI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC6a" ;
skos:prefLabel "3-methylhexaan"@nl .
csc:OKBVVJOGVLARMR-QSWIMTSFSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5362065 ;
dbo:casNumber "79350-37-1" ;
dbo:formula "C16H15N5O7S2" ;
dbo:inchi "InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "5362065"^^xsd:int ;
dbo:smiles "C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O" ;
dbp:inchikey "InChIKey=OKBVVJOGVLARMR-QSWIMTSFSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefxm" ;
skos:prefLabel "cefixim"@nl .
csc:PQSUYGKTWSAVDQ-ZVIOFETBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5839 ;
dbo:casNumber "52-39-1" , "152-04-5" , "10328-70-8" ;
dbo:formula "C21H28O5" ;
dbo:inchi "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1" ;
dbo:iupacName "(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde"@en ;
dbo:pubchem "5839"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O" ;
dbp:inchikey "InChIKey=PQSUYGKTWSAVDQ-ZVIOFETBSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aldtrn" ;
skos:prefLabel "aldosteron"@nl .
csc:GEHJBWKLJVFKPS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:542762 ;
dbo:casNumber "5589-96-8" ;
dbo:formula "C2H2BrClO2" ;
dbo:inchi "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)" ;
dbo:iupacName "2-bromo-2-chloroacetic acid"@en ;
dbo:pubchem "542762"^^xsd:int ;
dbo:smiles "C(C(=O)O)(Cl)Br" ;
dbp:inchikey "InChIKey=GEHJBWKLJVFKPS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrClHAc" ;
skos:prefLabel "broomchloorazijnzuur"@nl .
csc:CHEMONTID_0001716
skos:narrower csc:ZNRLMGFXSPUZNR-UHFFFAOYSA-N , csc:XRJLAOUDSILTFT-UHFFFAOYSA-N , csc:DECIPOUIJURFOJ-UHFFFAOYSA-N .
csc:CHEMONTID_0003459
skos:narrower csc:VEENJGZXVHKXNB-VOTSOKGWSA-N , csc:RGCLLPNLLBQHPF-HJWRWDBZSA-N , csc:RGCLLPNLLBQHPF-CMDGGOBGSA-N , csc:OEBRKCOSUFCWJD-UHFFFAOYSA-N , csc:KRTSDMXIXPKRQR-AATRIKPKSA-N , csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N , csc:AFWOYEYXUDHGHF-UHFFFAOYSA-N .
csc:CHEMONTID_0002460
skos:narrower csc:GBHCABUWWQUMAJ-UHFFFAOYSA-N .
csc:SHKUUQIDMUMQQK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17046 ;
dbo:casNumber "162786-24-5" , "29611-97-0" , "2425-79-8" , "134498-52-5" , "152618-32-1" , "83138-98-1" , "54350-59-3" , "139074-76-3" ;
dbo:formula "C10H18O4" ;
dbo:inchi "InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2" ;
dbo:iupacName "2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane"@en ;
dbo:pubchem "17046"^^xsd:int ;
dbo:smiles "C1C(O1)COCCCCOCC2CO2" ;
dbp:inchikey "InChIKey=SHKUUQIDMUMQQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDoDgcdE" ;
skos:prefLabel "1,4-butaandioldiglycidylether"@nl .
csc:OIRFJRBSRORBCM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3735 ;
dbo:casNumber "96-83-3" ;
dbo:formula "C11H12I3NO2" ;
dbo:inchi "InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)" ;
dbo:iupacName "2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid"@en ;
dbo:pubchem "3735"^^xsd:int ;
dbo:smiles "CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O" ;
dbp:inchikey "InChIKey=OIRFJRBSRORBCM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopninzr" ;
skos:prefLabel "jopanoïnezuur"@nl .
csc:VACCAVUAMIDAGB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5328 ;
dbo:casNumber "144-82-1" ;
dbo:formula "C9H10N4O2S2" ;
dbo:inchi "InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)" ;
dbo:iupacName "4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5328"^^xsd:int ;
dbo:smiles "CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=VACCAVUAMIDAGB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfmtzl" ;
skos:prefLabel "sulfamethizol"@nl .
csc:QGBSISYHAICWAH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10005 ;
dbo:casNumber "139351-77-2" , "461-58-5" , "157480-33-6" , "125148-58-5" , "139351-78-3" ;
dbo:formula "C2H4N4" ;
dbo:inchi "InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)" ;
dbo:iupacName "2-Cyanoguanidine"@en ;
dbo:pubchem "10005"^^xsd:int ;
dbo:smiles "C(#N)N=C(N)N" ;
dbp:inchikey "InChIKey=QGBSISYHAICWAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNgandne" ;
skos:prefLabel "cyaanguanidine"@nl .
csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8301 ;
dbo:casNumber "9014-83-9" , "116-14-3" ;
dbo:formula "C2F4" ;
dbo:inchi "InChI=1S/C2F4/c3-1(4)2(5)6" ;
dbo:iupacName "1,1,2,2-tetrafluoroethene"@en ;
dbo:pubchem "8301"^^xsd:int ;
dbo:smiles "C(=C(F)F)(F)F" ;
dbp:inchikey "InChIKey=BFKJFAAPBSQJPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4FC2e" ;
skos:prefLabel "tetrafluoretheen"@nl .
csc:KKCBUQHMOMHUOY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:73971 ;
dbo:casNumber "37382-45-9" , "1313-59-3" ;
dbo:formula "Na2O" ;
dbo:inchi "InChI=1S/2Na.O/q2*+1;-2" ;
dbo:iupacName "disodium oxygen(-2) anion"@en ;
dbo:pubchem "73971"^^xsd:int ;
dbo:smiles "[O-2].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=KKCBUQHMOMHUOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000526 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2O" ;
skos:prefLabel "dinatriumoxide"@nl .
csc:CHEMONTID_0002858
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002858 ;
skos:definition "Oxazaphospholanes containing the isofamide skeleton. Isofamide is a heterocyclic compound made up of a 1,3,2-oxazaphospholane, where the phosphorus atom is part of a phosphodiamide group, and the oxazaphospholane is substituted by two haloalkyl chains."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HOMGKSMUEGBAAB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002858" ;
skos:prefLabel "Isofamides"@en .
csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'"@nl , "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'"@nl , "VLAR III (D3, diverse art) 'Tl'"@nl , "VLAR II bijl. 2.5.2 'thallium'"@nl , "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)"@nl ;
rdfs:seeAlso compound:5359464 ;
dbo:casNumber "82870-81-3" , "113835-49-7" , "7440-28-0" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl" ;
dbo:iupacName "THALLIUM"@en ;
dbo:pubchem "5359464"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "InChIKey=BKVIYDNLLOSFOA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:broader csc:CHEMONTID_0000427 ;
skos:definition "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)"@nl ;
skos:exactMatch wise:CAS_7440-28-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl" ;
skos:prefLabel "thallium"@nl ;
vcs:vmmParameterId "188"^^xsd:int , "1976"^^xsd:int , "190"^^xsd:int , "189"^^xsd:int .
csc:YIWUKEYIRIRTPP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7720 ;
dbo:casNumber "111675-57-1" , "704-76-7" , "104-76-7" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "2-Ethylhexan-1-ol"@en ;
dbo:pubchem "7720"^^xsd:int ;
dbo:smiles "CCCCC(CC)CO" ;
dbp:inchikey "InChIKey=YIWUKEYIRIRTPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2y1C6ol" ;
skos:prefLabel "2-ethyl-1-hexanol"@nl .
csc:XGZVUEUWXADBQD-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11125 ;
dbo:casNumber "10377-37-4" , "12767-19-0" , "554-13-2" , "216964-61-3" ;
dbo:formula "CLi2O3" ;
dbo:inchi "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2" ;
dbo:iupacName "Dilithium carbonate"@en ;
dbo:pubchem "11125"^^xsd:int ;
dbo:smiles "[Li+].[Li+].C(=O)([O-])[O-]" ;
dbp:inchikey "InChIKey=XGZVUEUWXADBQD-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "LiCO3" ;
skos:prefLabel "lithium carbonaat"@nl .
csc:VDBHOHJWUDKDRW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47167 ;
dbo:casNumber "15323-35-0" , "55599-08-1" , "64058-43-1" ;
dbo:formula "C17H24O" ;
dbo:inchi "InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3" ;
dbo:iupacName "1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone"@en ;
dbo:pubchem "47167"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C" ;
dbp:inchikey "InChIKey=VDBHOHJWUDKDRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AHMI" ;
skos:prefLabel "5-acetyl-1,1,2,3,3,6-hexamethylindaan"@nl .
csc:VOTXWUCYIOPNNR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69855 ;
dbo:casNumber "769-11-9" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2" ;
dbo:iupacName "2-Chloro-6-nitroaniline"@en ;
dbo:pubchem "69855"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=VOTXWUCYIOPNNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6NO2An" ;
skos:prefLabel "2-chloor-6-nitroaniline"@nl .
csc:LEQAOMBKQFMDFZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7860 ;
dbo:casNumber "40094-65-3" , "107-22-2" , "83513-30-8" , "9005-91-8" ;
dbo:formula "C2H2O2" ;
dbo:inchi "InChI=1S/C2H2O2/c3-1-2-4/h1-2H" ;
dbo:iupacName "oxaldehyde"@en ;
dbo:pubchem "7860"^^xsd:int ;
dbo:smiles "C(=O)C=O" ;
dbp:inchikey "InChIKey=LEQAOMBKQFMDFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyoxl" ;
skos:prefLabel "glyoxaal"@nl .
csc:UHXUZOCRWCRNSJ-QPJJXVBHSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5353758 ;
dbo:casNumber "16752-77-5" , "19928-35-9" ;
dbo:formula "C5H10N2O2S" ;
dbo:inchi "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+" ;
dbo:iupacName "(1-methylsulfanylethylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "5353758"^^xsd:int ;
dbo:smiles "CC(=NOC(=O)NC)SC" ;
dbp:inchikey "InChIKey=UHXUZOCRWCRNSJ-QPJJXVBHSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metml" ;
skos:prefLabel "methomyl"@nl .
csc:VAHKBZSAUKPEOV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27960 ;
dbo:casNumber "16606-02-3" , "63439-93-0" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H" ;
dbo:iupacName "1,4-dichloro-2-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "27960"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VAHKBZSAUKPEOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB31" ;
skos:prefLabel "2,4',5-trichloorbifenyl"@nl .
csc:OYTJKRAYGYRUJK-FMCCZJBLSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:441351 ;
dbo:casNumber "119302-91-9" ;
dbo:formula "C32H53BrN2O4" ;
dbo:inchi "InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1" ;
dbo:iupacName "[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide"@en ;
dbo:pubchem "441351"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]" ;
dbp:inchikey "InChIKey=OYTJKRAYGYRUJK-FMCCZJBLSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rocrnBr" ;
skos:prefLabel "rocuronium bromide"@nl .
csc:CHEMONTID_0000064
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000064 ;
skos:definition "Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JHWNWJKBPDFINM-UHFFFAOYSA-N , csc:HERSSAVMHCMYSQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000064" ;
skos:prefLabel "Macrolactams"@en .
csc:TWIMUEGVLWNOMO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:168665 ;
dbo:casNumber "27177-01-1" ;
dbo:formula "C27H48O7" ;
dbo:inchi "InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "168665"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO" ;
dbp:inchikey "InChIKey=TWIMUEGVLWNOMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO6" ;
skos:prefLabel "nonylfenolhexaethoxylaat"@nl .
csc:DCTOHCCUXLBQMS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13190 ;
dbo:casNumber "68526-57-8" , "821-95-4" , "10-01-5" ;
dbo:formula "C11H22" ;
dbo:inchi "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3" ;
dbo:iupacName "undec-1-ene"@en ;
dbo:pubchem "13190"^^xsd:int ;
dbo:smiles "CCCCCCCCCC=C" ;
dbp:inchikey "InChIKey=DCTOHCCUXLBQMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C11e" ;
skos:prefLabel "1-undeceen"@nl .
csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14410 ;
dbo:casNumber "145538-74-5" , "109945-70-2" , "1163-19-5" ;
dbo:formula "C12Br10O" ;
dbo:inchi "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene"@en ;
dbo:pubchem "14410"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=WHHGLZMJPXIBIX-UHFFFAOYSA-N" ;
skos:altLabel "bde 209"@nl , "decabroomdifenylether (bde209)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_1163-19-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether"@nl ;
vcs:vmmParameterId "938"^^xsd:int .
csc:HEMHJVSKTPXQMS-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14798 ;
dbo:casNumber "1310-73-2" , "8012-01-9" ;
dbo:formula "HNaO" ;
dbo:inchi "InChI=1S/Na.H2O/h;1H2/q+1;/p-1" ;
dbo:iupacName "SODIUM HYDROXIDE"@en ;
dbo:pubchem "14798"^^xsd:int ;
dbo:smiles "[OH-].[Na+]" ;
dbp:inchikey "InChIKey=HEMHJVSKTPXQMS-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaOH" ;
skos:prefLabel "natriumhydroxide"@nl .
csc:CHEMONTID_0004665
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004665 ;
skos:definition "Organooxygen compounds containing a O,S-diester derivative of phosphoroamidothioic acid. They have the general structure RSP(=O)(OR')(NH2), where R,R' are organyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004665" ;
skos:prefLabel "Phosphoramidothioic-acid-O,S-diesters"@en .
csc:ZBMRKNMTMPPMMK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:53597 ;
dbo:casNumber "82785-28-2" , "106917-54-8" , "118336-14-4" , "77182-82-2" , "51276-47-2" ;
dbo:formula "C5H15N2O4P" ;
dbo:inchi "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3" ;
dbo:iupacName "azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate"@en ;
dbo:pubchem "53597"^^xsd:int ;
dbo:smiles "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]" ;
dbp:inchikey "InChIKey=ZBMRKNMTMPPMMK-UHFFFAOYSA-N" ;
skos:altLabel "glufosinaat-ammonium"@nl ;
skos:broader csc:CHEMONTID_0002404 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glufsntNH4" , "glufsnt" ;
skos:prefLabel "glufosinaat"@nl .
csc:XTEGARKTQYYJKE-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104770 ;
dbo:casNumber "14866-68-3" , "13932-10-0" ;
dbo:formula "ClO3-" ;
dbo:inchi "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1" ;
dbo:iupacName "Chlorate"@en ;
dbo:pubchem "104770"^^xsd:int ;
dbo:smiles "[O-]Cl(=O)=O" ;
dbp:inchikey "InChIKey=XTEGARKTQYYJKE-UHFFFAOYSA-M" ;
skos:altLabel "chloortrioxide"@nl ;
skos:exactMatch wise:CAS_14866-68-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClO3" , "ClTO" ;
skos:prefLabel "chloraat"@nl ;
vcs:vmmParameterId "464"^^xsd:int .
csc:ALDJIKXAHSDLLB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38875 ;
dbo:casNumber "41464-39-5" , "70362-46-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H" ;
dbo:iupacName "1,2-dichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38875"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ALDJIKXAHSDLLB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB44" ;
skos:prefLabel "2,2',3,5'-tetrachloorbifenyl"@nl .
csc:MNWFXJYAOYHMED-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8094 ;
dbo:casNumber "111-14-8" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)" ;
dbo:iupacName "Heptanoic acid"@en ;
dbo:pubchem "8094"^^xsd:int ;
dbo:smiles "CCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=MNWFXJYAOYHMED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7azr" ;
skos:prefLabel "heptaanzuur"@nl .
csc:CRVGTESFCCXCTH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7767 ;
dbo:casNumber "511262-76-3" , "105-59-9" ;
dbo:formula "C5H13NO2" ;
dbo:inchi "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3" ;
dbo:iupacName "2-(2-hydroxyethyl-methylamino)ethanol"@en ;
dbo:pubchem "7767"^^xsd:int ;
dbo:smiles "CN(CCO)CCO" ;
dbp:inchikey "InChIKey=CRVGTESFCCXCTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1yimnDC2o" ;
skos:prefLabel "2,2'-methyliminodiethanol"@nl .
csc:CHEMONTID_0001212
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001212 ;
skos:definition "Organic compounds containing the thiol functional group linked to an alkyl chain."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IQIBYAHJXQVQGB-UHFFFAOYSA-N , csc:WQAQPCDUOCURKW-UHFFFAOYSA-N , csc:LOCHFZBWPCLPAN-UHFFFAOYSA-N , csc:BDFAOUQQXJIZDG-UHFFFAOYSA-N , csc:LSDPWZHWYPCBBB-UHFFFAOYSA-N , csc:KJRCEJOSASVSRA-UHFFFAOYSA-N , csc:ZRKMQKLGEQPLNS-UHFFFAOYSA-N , csc:WMXCDAVJEZZYLT-UHFFFAOYSA-N , csc:SUVIGLJNEAMWEG-UHFFFAOYSA-N , csc:DNJIEGIFACGWOD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001212" ;
skos:prefLabel "Alkylthiols"@en .
csc:LOCWBQIWHWIRGN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8492 ;
dbo:casNumber "121-87-9" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2" ;
dbo:iupacName "2-Chloro-4-nitroaniline"@en ;
dbo:pubchem "8492"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])Cl)N" ;
dbp:inchikey "InChIKey=LOCWBQIWHWIRGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl4NO2An" ;
skos:prefLabel "2-chloor-4-nitroaniline"@nl .
csc:UJIGKESMIPTWJH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62353 ;
dbo:casNumber "507-55-1" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H" ;
dbo:iupacName "1,3-Dichloro-1,1,2,2,3-pentafluoropropane"@en ;
dbo:pubchem "62353"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)Cl)(F)F)(F)Cl" ;
dbp:inchikey "InChIKey=UJIGKESMIPTWJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225cb" ;
skos:prefLabel "1,3-dichloor-1,1,2,2,3-pentafluorpropaan"@nl .
csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6023583 ;
dbo:casNumber "88283-41-4" ;
dbo:formula "C14H12Cl2N2O" ;
dbo:inchi "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-" ;
dbo:iupacName "1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine"@en ;
dbo:pubchem "6023583"^^xsd:int ;
dbo:smiles "CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=CKPCAYZTYMHQEX-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrfnx" ;
skos:prefLabel "pyrifenox"@nl .
csc:OZAIFHULBGXAKX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6547 ;
dbo:casNumber "39322-24-2" , "76012-28-7" , "80748-81-8" , "78-67-1" , "58449-80-2" , "67035-64-7" , "95210-41-6" , "34241-39-9" ;
dbo:formula "C8H12N4" ;
dbo:inchi "InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3" ;
dbo:iupacName "2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile"@en ;
dbo:pubchem "6547"^^xsd:int ;
dbo:smiles "CC(C)(C#N)N=NC(C)(C)C#N" ;
dbp:inchikey "InChIKey=OZAIFHULBGXAKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000410 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1y22aDpp" ;
skos:prefLabel "2,2'-dimethyl-2,2'-azodipropiononitril"@nl .
csc:CHEMONTID_0002837
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002837 ;
skos:definition "Organic compounds made up only of carbon and hydrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002837" ;
skos:prefLabel "Hydrocarbons"@en .
csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2969 ;
dbo:casNumber "334-48-5" , "52627-73-3" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" ;
dbo:iupacName "Decanoic acid"@en ;
dbo:pubchem "2969"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10azr" ;
skos:prefLabel "decaanzuur"@nl .
csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40816 ;
dbo:casNumber "2314-09-2" ;
dbo:formula "C18H18O3" ;
dbo:inchi "InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3" ;
dbo:iupacName "Butyl 9-hydroxyfluorene-9-carboxylate"@en ;
dbo:pubchem "40816"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O" ;
dbp:inchikey "InChIKey=PSGPXWYGJGGEEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurnC4y" ;
skos:prefLabel "flurenol-butyl"@nl .
csc:CHEMONTID_0002354
skos:narrower csc:XTXRWKRVRITETP-UHFFFAOYSA-N , csc:UIWXSTHGICQLQT-UHFFFAOYSA-N .
csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2553 ;
dbo:casNumber "6804-07-5" , "39310-25-3" ;
dbo:formula "C11H10N4O4" ;
dbo:inchi "InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3" ;
dbo:iupacName "['methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate']"@en ;
dbo:pubchem "2553"^^xsd:int ;
dbo:smiles "COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]" ;
dbp:inchikey "InChIKey=BPMVRAQIQQEBLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbdx" ;
skos:prefLabel "carbadox"@nl .
csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:50891 ;
dbo:casNumber "69782-90-7" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "50891"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YTWXDQVNPCIEOX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 157"@nl , "pcb 157"@nl , "2,3,3',4,4',5'-hexachloorbifenyl (pcb157)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_69782-90-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB157" ;
skos:prefLabel "2,3,3',4,4',5'-hexachloorbifenyl"@nl ;
vcs:vmmParameterId "1373"^^xsd:int .
csc:CHEMONTID_0001127
skos:narrower csc:WTEVQBCEXWBHNA-JXMROGBWSA-N , csc:QMVPMAAFGQKVCJ-SNVBAGLBSA-N , csc:HNZUNIKWNYHEJJ-FMIVXFBMSA-N , csc:GLZPCOQZEFWAFX-JXMROGBWSA-N .
csc:CHEMONTID_0004097
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004097 ;
skos:definition "Organic compounds containing a benzene ring fused to a 1,4-azepine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UVCOILFBWYKHHB-UHFFFAOYSA-N , csc:SEQDDYPDSLOBDC-UHFFFAOYSA-N , csc:MVAUDJDXZPBWOW-UHFFFAOYSA-N , csc:ADIMAYPTOBDMTL-UHFFFAOYSA-N , csc:AKPLHCDWDRPJGD-UHFFFAOYSA-N , csc:DGBIGWXXNGSACT-UHFFFAOYSA-N , csc:PPTYJKAXVCCBDU-UHFFFAOYSA-N , csc:AAOVKJBEBIDNHE-UHFFFAOYSA-N , csc:LTCDLGUFORGHGY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004097" ;
skos:prefLabel "1,4-benzodiazepines"@en .
csc:CHEMONTID_0003979
skos:narrower csc:WGVYCXYGPNNUQA-UHFFFAOYSA-N .
csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98527 ;
dbo:casNumber "66142-81-2" ;
dbo:formula "C10H14BrNO2" ;
dbo:inchi "InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3" ;
dbo:iupacName "2-(4-bromo-2,5-dimethoxyphenyl)ethanamine"@en ;
dbo:pubchem "98527"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1CCN)OC)Br" ;
dbp:inchikey "InChIKey=YMHOBZXQZVXHBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24Br25DC1oxF" ;
skos:prefLabel "2-(4-broom-2,5-dimethoxyfenyl) ethylamine"@nl .
csc:CHEMONTID_0001753
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001753 ;
skos:definition "Organic compounds containing an indole attached to a benzoyl moiety through the acyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CGIGDMFJXJATDK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001753" ;
skos:prefLabel "Benzoylindoles"@en .
csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12018 ;
dbo:casNumber "616-23-9" , "82890-22-0" ;
dbo:formula "C3H6Cl2O" ;
dbo:inchi "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" ;
dbo:iupacName "2,3-Dichloropropan-1-ol"@en ;
dbo:pubchem "12018"^^xsd:int ;
dbo:smiles "C(C(CCl)Cl)O" ;
dbp:inchikey "InChIKey=ZXCYIJGIGSDJQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClC3ol" ;
skos:prefLabel "2,3-dichloorpropanol"@nl .
csc:CHEMONTID_0000526
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000526 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkali metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KKCBUQHMOMHUOY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000526" ;
skos:prefLabel "Alkali metal oxides"@en .
csc:CHEMONTID_0001270
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001270 ;
skos:definition "Inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QGPQTSCLUYMZHL-UHFFFAOYSA-N , csc:FYOFOKCECDGJBF-UHFFFAOYSA-N , csc:VUBDMGXNLNDGIY-UHFFFAOYSA-N , csc:ASCDQPSSGQOUOI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001270" ;
skos:prefLabel "Miscellaneous mixed metal/non-metals"@en .
csc:GDSQRBLILFKERU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61110 ;
dbo:casNumber "422-44-6" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H" ;
dbo:iupacName "1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61110"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)Cl)(F)Cl)(F)F" ;
dbp:inchikey "InChIKey=GDSQRBLILFKERU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225bb" ;
skos:prefLabel "1,2-dichloor-1,1,2,3,3-pentafluorpropaan"@nl .
csc:CHEMONTID_0002901
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002901 ;
skos:definition "Flavonoids with a structure based on the 3-phenylchromene skeleton, with a double bond between the C2 and C3 carbon atoms of the chromene moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002901" ;
skos:prefLabel "Isoflav-2-enes"@en .
csc:BSBSDQUZDZXGFN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8293 ;
dbo:casNumber "115-93-5" ;
dbo:formula "C8H12NO5PS2" ;
dbo:inchi "InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)" ;
dbo:iupacName "4-dimethoxyphosphinothioyloxybenzenesulfonamide"@en ;
dbo:pubchem "8293"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N" ;
dbp:inchikey "InChIKey=BSBSDQUZDZXGFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cytoat" ;
skos:prefLabel "cythioaat"@nl .
csc:ADFXKUOMJKEIND-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4277 ;
dbo:casNumber "2387-23-7" ;
dbo:formula "C13H24N2O" ;
dbo:inchi "InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)" ;
dbo:iupacName "1,3-Dicyclohexylurea"@en ;
dbo:pubchem "4277"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NC(=O)NC2CCCCC2" ;
dbp:inchikey "InChIKey=ADFXKUOMJKEIND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DccC6yurum" ;
skos:prefLabel "1,3-dicyclohexylureum"@nl .
csc:CHEMONTID_0003417
skos:narrower csc:ZKHOYAKAFALNQD-UHFFFAOYSA-N , csc:XUDJZDNUVZHSKZ-UHFFFAOYSA-N , csc:XNCNNDVCAUWAIT-UHFFFAOYSA-N , csc:WAKCWJNDXBPEBP-UHFFFAOYSA-N , csc:UUIQMZJEGPQKFD-UHFFFAOYSA-N , csc:NUKZAGXMHTUAFE-UHFFFAOYSA-N .
csc:RRZXIRBKKLTSOM-XPNPUAGNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6434889 ;
dbo:casNumber "65195-55-3" ;
dbo:formula "C48H72O14" ;
dbo:inchi "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1" ;
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en ;
dbo:pubchem "6434889"^^xsd:int ;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C" ;
dbp:inchikey "InChIKey=RRZXIRBKKLTSOM-XPNPUAGNSA-N" ;
skos:altLabel "avermectin b1a"@nl ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acmtnB1a" ;
skos:prefLabel "avermectin B1a"@nl .
csc:CHEMONTID_0004161
skos:narrower csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N , csc:BBXXLROWFHWFQY-UHFFFAOYSA-N .
csc:CHEMONTID_0001185
skos:narrower csc:KIWBPDUYBMNFTB-UHFFFAOYSA-N .
csc:ILBWBNOBGCYGSU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6328651 ;
dbo:casNumber "1000-05-1" ;
dbo:formula "C8H24O3Si4" ;
dbo:inchi "InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3" ;
dbo:iupacName "1,1,3,3,5,5,7,7-Octamethyltetrasiloxane"@en ;
dbo:pubchem "6328651"^^xsd:int ;
dbo:smiles "C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C" ;
dbp:inchikey "InChIKey=ILBWBNOBGCYGSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004446 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcC1yT4slxn" ;
skos:prefLabel "octamethyltetrasiloxaan"@nl .
csc:CHEMONTID_0000584
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000584 ;
skos:definition "Inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a metalloid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WTEOIRVLGSZEPR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000584" ;
skos:prefLabel "Metalloid fluorides"@en .
csc:XTAHLACQOVXINQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:43495 ;
dbo:casNumber "60851-34-5" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H" ;
dbo:iupacName "2,3,4,6,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "43495"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=XTAHLACQOVXINQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,6,7,8-hexachloordibenzofuran"@nl , "2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)"@nl , "2,3,4,6,7,8-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_60851-34-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF130" ;
skos:prefLabel " 2,3,4,6,7,8-hexachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1243"^^xsd:int .
csc:PPKPKFIWDXDAGC-NSCUHMNNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5366870 ;
dbo:casNumber "7069-38-7" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+" ;
dbo:iupacName "['1,2-dichloroprop-1-ene', '(E)-1,2-dichloroprop-1-ene']"@en ;
dbo:pubchem "5366870"^^xsd:int ;
dbo:smiles "CC(=CCl)Cl" ;
dbp:inchikey "InChIKey=PPKPKFIWDXDAGC-NSCUHMNNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DClC3e" ;
skos:prefLabel "trans-1,2-dichloorpropeen"@nl .
csc:MQHNKCZKNAJROC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8559 ;
dbo:casNumber "131-16-8" ;
dbo:formula "C14H18O4" ;
dbo:inchi "InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3" ;
dbo:iupacName "dipropyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8559"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CC=CC=C1C(=O)OCCC" ;
dbp:inchikey "InChIKey=MQHNKCZKNAJROC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_131-16-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yFt" ;
skos:prefLabel "dipropylftalaat"@nl ;
vcs:vmmParameterId "71"^^xsd:int .
csc:RRVIAQKBTUQODI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29216 ;
dbo:casNumber "18691-97-9" ;
dbo:formula "C10H11N3OS" ;
dbo:inchi "InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)" ;
dbo:iupacName "1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea"@en ;
dbo:pubchem "29216"^^xsd:int ;
dbo:smiles "CNC(=O)N(C)C1=NC2=CC=CC=C2S1" ;
dbp:inchikey "InChIKey=RRVIAQKBTUQODI-UHFFFAOYSA-N" ;
skos:altLabel "methabenzthiazuron"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:exactMatch wise:CAS_18691-97-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbtazrn" ;
skos:prefLabel "metabenzthiazuron"@nl ;
vcs:vmmParameterId "276"^^xsd:int .
csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:379 ;
dbo:casNumber "68937-74-6" , "18312-04-4" , "124-07-2" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" ;
dbo:iupacName "octanoic acid"@en ;
dbo:pubchem "379"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8azr" ;
skos:prefLabel "octaanzuur"@nl .
csc:CHEMONTID_0003958
skos:narrower csc:UZUFPBIDKMEQEQ-UHFFFAOYSA-N .
csc:XJCVRTZCHMZPBD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7423 ;
dbo:casNumber "99-09-2" , "12262-63-4" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "3-Nitroaniline"@en ;
dbo:pubchem "7423"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=XJCVRTZCHMZPBD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2An" ;
skos:prefLabel "3-nitroaniline"@nl .
csc:WSSSPWUEQFSQQG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12724 ;
dbo:casNumber "691-37-2" , "25068-26-2" , "44390-46-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3" ;
dbo:iupacName "4-Methylpent-1-ene"@en ;
dbo:pubchem "12724"^^xsd:int ;
dbo:smiles "CC(C)CC=C" ;
dbp:inchikey "InChIKey=WSSSPWUEQFSQQG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y1C5e" ;
skos:prefLabel "4-methyl-1-penteen"@nl .
csc:WIFXJBMOTMKRMM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10140464 ;
dbo:casNumber "111872-58-3" ;
dbo:formula "C24H23BrF2O3" ;
dbo:inchi "InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3" ;
dbo:iupacName "1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene"@en ;
dbo:pubchem "10140464"^^xsd:int ;
dbo:smiles "CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)Br" ;
dbp:inchikey "InChIKey=WIFXJBMOTMKRMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halepx" ;
skos:prefLabel "halfenprox"@nl .
csc:SVOAUHHKPGKPQK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17169 ;
dbo:casNumber "2464-37-1" ;
dbo:formula "C14H9ClO3" ;
dbo:inchi "InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)" ;
dbo:iupacName "2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID"@en ;
dbo:pubchem "17169"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=C(C2(C(=O)O)O)C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=SVOAUHHKPGKPQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clfrnl" ;
skos:prefLabel "chloorflurenol"@nl .
csc:DSAJWYNOEDNPEQ-AKLPVKDBSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335490 ;
dbo:casNumber "14798-08-4" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba/i1+3" ;
dbo:iupacName "barium-140"@en ;
dbo:pubchem "6335490"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "InChIKey=DSAJWYNOEDNPEQ-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba140" ;
skos:prefLabel "barium 140"@nl .
csc:CHEMONTID_0000505
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000505 ;
skos:definition "Compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N , csc:PHVNLLCAQHGNKU-UHFFFAOYSA-N , csc:QMMFBGBMARGVFC-UHFFFAOYSA-N , csc:PZIRJMYRYORVIT-UHFFFAOYSA-N , csc:YRRKLBAKDXSTNC-WEVVVXLNSA-N , csc:CTJBHIROCMPUKL-WEVVVXLNSA-N ;
skos:notation "CHEMONTID:0000505" ;
skos:prefLabel "Sulfones"@en .
csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29863 ;
dbo:casNumber "19937-59-8" ;
dbo:formula "C10H13ClN2O2" ;
dbo:inchi "InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)" ;
dbo:iupacName "3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "29863"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl" ;
dbp:inchikey "InChIKey=DSRNRYQBBJQVCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_19937-59-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metxrn" ;
skos:prefLabel "metoxuron"@nl ;
vcs:vmmParameterId "277"^^xsd:int .
csc:XKXPBJBODVHDAW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66538 ;
dbo:casNumber "84-68-4" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-amino-2-chlorophenyl)-3-chloroaniline"@en ;
dbo:pubchem "66538"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl" ;
dbp:inchikey "InChIKey=XKXPBJBODVHDAW-UHFFFAOYSA-N" ;
skos:altLabel "2,2’-dichloorbenzidine"@nl ;
skos:broader csc:CHEMONTID_0003955 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClbzdne" ;
skos:prefLabel "2,2'-dichloorbenzidine"@nl .
csc:FAOZLTXFLGPHNG-KNAQIMQKSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9878 ;
dbo:casNumber "426-13-1" ;
dbo:formula "C22H29FO4" ;
dbo:inchi "InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9878"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O" ;
dbp:inchikey "InChIKey=FAOZLTXFLGPHNG-KNAQIMQKSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fmtln" ;
skos:prefLabel "fluormetholon"@nl .
csc:DOGIHOCMZJUJNR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16665 ;
dbo:casNumber "2216-34-4" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3" ;
dbo:iupacName "4-Methyloctane"@en ;
dbo:pubchem "16665"^^xsd:int ;
dbo:smiles "CCCCC(C)CCC" ;
dbp:inchikey "InChIKey=DOGIHOCMZJUJNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yC8a" ;
skos:prefLabel "4-methyloctaan"@nl .
csc:VSVAQRUUFVBBFS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91771 ;
dbo:casNumber "104653-34-1" ;
dbo:formula "C31H23BrO2S" ;
dbo:inchi "InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxythiochromen-4-one"@en ;
dbo:pubchem "91771"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(SC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br" ;
dbp:inchikey "InChIKey=VSVAQRUUFVBBFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dftiln" ;
skos:prefLabel "difethialon"@nl .
csc:CHEMONTID_0004623
skos:narrower csc:XRHGWAGWAHHFLF-UHFFFAOYSA-N , csc:SDMSCIWHRZJSRN-UHFFFAOYSA-N , csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N , csc:OUNSASXJZHBGAI-UHFFFAOYSA-N , csc:JOOMJVFZQRQWKR-UHFFFAOYSA-N , csc:HRBKVYFZANMGRE-UHFFFAOYSA-N , csc:CXJSOEPQXUCJSA-UHFFFAOYSA-N .
csc:HUMNYLRZRPPJDN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:240 ;
dbo:casNumber "100-52-7" ;
dbo:formula "C7H6O" ;
dbo:inchi "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H" ;
dbo:iupacName "BENZALDEHYDE"@en ;
dbo:pubchem "240"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=O" ;
dbp:inchikey "InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BenAh" ;
skos:prefLabel "benzaldehyde"@nl .
csc:GBDZXPJXOMHESU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12463 ;
dbo:casNumber "634-66-2" , "63697-20-1" , "13280-72-3" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H" ;
dbo:iupacName "1,2,3,4-Tetrachlorobenzene"@en ;
dbo:pubchem "12463"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=GBDZXPJXOMHESU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4ClBen" ;
skos:prefLabel "1,2,3,4-tetrachloorbenzeen"@nl .
csc:YOALFLHFSFEMLP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62525 ;
dbo:casNumber "95328-99-7" , "3825-26-1" , "77751-76-9" ;
dbo:formula "C8H4F15NO2" ;
dbo:inchi "InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3" ;
dbo:iupacName "azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en ;
dbo:pubchem "62525"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N" ;
dbp:inchikey "InChIKey=YOALFLHFSFEMLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_NH4" ;
skos:prefLabel "perfluoroctaanzuur, ammoniumzout"@nl .
csc:GTVWRXDRKAHEAD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6537 ;
dbo:casNumber "78-42-2" ;
dbo:formula "C24H51O4P" ;
dbo:inchi "InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3" ;
dbo:iupacName "['Tris(2-ethylhexyl) phosphate', 'tris(2-ethylhexoxy)-hydroxyphosphanium']"@en ;
dbo:pubchem "6537"^^xsd:int ;
dbo:smiles "CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC" ;
dbp:inchikey "InChIKey=GTVWRXDRKAHEAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris2C2yC6yP" ;
skos:prefLabel "tris(2-ethylhexyl)fosfaat"@nl .
csc:JARYYMUOCXVXNK-CSLFJTBJSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:443629 ;
dbo:casNumber "37248-47-8" ;
dbo:formula "C20H35NO13" ;
dbo:inchi "InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1" ;
dbo:iupacName "(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en ;
dbo:pubchem "443629"^^xsd:int ;
dbo:smiles "C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO" ;
dbp:inchikey "InChIKey=JARYYMUOCXVXNK-CSLFJTBJSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valdmcne" ;
skos:prefLabel "validamycine"@nl .
csc:NKRVGWFEFKCZAP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62823 ;
dbo:casNumber "27247-96-7" ;
dbo:formula "C8H17NO3" ;
dbo:inchi "InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3" ;
dbo:iupacName "2-Ethylhexyl nitrate"@en ;
dbo:pubchem "62823"^^xsd:int ;
dbo:smiles "CCCCC(CC)CO[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=NKRVGWFEFKCZAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yNO3" ;
skos:prefLabel "2-ethylhexylnitraat"@nl .
csc:CCGPUGMWYLICGL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11145 ;
dbo:casNumber "555-37-3" ;
dbo:formula "C12H16Cl2N2O" ;
dbo:inchi "InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)" ;
dbo:iupacName "1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea"@en ;
dbo:pubchem "11145"^^xsd:int ;
dbo:smiles "CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=CCGPUGMWYLICGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nebrn" ;
skos:prefLabel "neburon"@nl .
csc:AYIRNRDRBQJXIF-NXEZZACHSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:114811 ;
dbo:casNumber "73231-34-2" , "81588-76-3" , "76639-94-6" ;
dbo:formula "C12H14Cl2FNO4S" ;
dbo:inchi "InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1" ;
dbo:iupacName "2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "114811"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(Cl)Cl)O" ;
dbp:inchikey "InChIKey=AYIRNRDRBQJXIF-NXEZZACHSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "florfncl" ;
skos:prefLabel "florfenicol"@nl .
csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4004 ;
dbo:casNumber "11096-67-6" , "121-75-5" ;
dbo:formula "C10H19O6PS2" ;
dbo:inchi "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3" ;
dbo:iupacName "diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate"@en ;
dbo:pubchem "4004"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=JXSJBGJIGXNWCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:exactMatch wise:CAS_121-75-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malton" ;
skos:prefLabel "malathion"@nl ;
vcs:vmmParameterId "401"^^xsd:int .
csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31645 ;
dbo:casNumber "23103-98-2" ;
dbo:formula "C11H18N4O2" ;
dbo:inchi "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3" ;
dbo:iupacName "(2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate"@en ;
dbo:pubchem "31645"^^xsd:int ;
dbo:smiles "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" ;
dbp:inchikey "InChIKey=YFGYUFNIOHWBOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:exactMatch wise:CAS_23103-98-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmcb" ;
skos:prefLabel "pirimicarb"@nl ;
vcs:vmmParameterId "802"^^xsd:int .
csc:XTHFKEDIFFGKHM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8071 ;
dbo:casNumber "173201-80-4" , "110-71-4" , "24991-55-7" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3" ;
dbo:iupacName "1,2-Dimethoxyethane"@en ;
dbo:pubchem "8071"^^xsd:int ;
dbo:smiles "COCCOC" ;
dbp:inchikey "InChIKey=XTHFKEDIFFGKHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC1oxC2a" ;
skos:prefLabel "1,2-dimethoxyethaan"@nl .
csc:KVMPUXDNESXNOH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26176 ;
dbo:casNumber "215035-31-7" , "13674-84-5" , "76025-08-6" , "16839-32-0" ;
dbo:formula "C9H18Cl3O4P" ;
dbo:inchi "InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "tris(1-chloropropan-2-yl) phosphate"@en ;
dbo:pubchem "26176"^^xsd:int ;
dbo:smiles "CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl" ;
dbp:inchikey "InChIKey=KVMPUXDNESXNOH-UHFFFAOYSA-N" ;
skos:altLabel "tris(1-chloor-2-propyl)fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClC3yPO4" ;
skos:prefLabel "tris-(2-chloorisopropyl)-fosfaat"@nl .
csc:CHEMONTID_0004681
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004681 ;
skos:definition "Polycyclic aromatic compounds containing a 1,2,4-triazolo[1,5-a]pyrimidine ring system, which is substituted with a sulfonamide at the 2-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004681" ;
skos:prefLabel "1,2,4-triazolopyrimidine-2-sulfonamides"@en .
csc:SMQMWHHMXSBKEP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3017044 ;
dbo:casNumber "56775-91-8" , "31637-97-5" ;
dbo:formula "C18H19Cl2NO5" ;
dbo:inchi "InChI=1S/C18H18ClNO5.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3;1H" ;
dbo:iupacName "2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate hydrochloride"@en ;
dbo:pubchem "3017044"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl.Cl" ;
dbp:inchikey "InChIKey=SMQMWHHMXSBKEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfbt" ;
skos:prefLabel "etofibraat"@nl .
csc:NWESJZZPAJGHRZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6976 ;
dbo:casNumber "89-60-1" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-4-methyl-2-nitrobenzene"@en ;
dbo:pubchem "6976"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=NWESJZZPAJGHRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3NO2Tol" ;
skos:prefLabel "4-chloor-3-nitrotolueen"@nl .
csc:CHEMONTID_0003454
skos:narrower csc:NWBJYWHLCVSVIJ-UHFFFAOYSA-N .
csc:YXHKONLOYHBTNS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9550 ;
dbo:casNumber "334-88-3" ;
dbo:formula "CH2N2" ;
dbo:inchi "InChI=1S/CH2N2/c1-3-2/h1H2" ;
dbo:iupacName "DIAZOMETHANE"@en ;
dbo:pubchem "9550"^^xsd:int ;
dbo:smiles "C=[N+]=[N-]" ;
dbp:inchikey "InChIKey=YXHKONLOYHBTNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003688 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DazC1a" ;
skos:prefLabel "diazomethaan"@nl .
csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8370 ;
dbo:casNumber "118-74-1" ;
dbo:formula "C6Cl6" ;
dbo:inchi "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9" ;
dbo:iupacName "1,2,3,4,5,6-hexachlorobenzene"@en ;
dbo:pubchem "8370"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CKAPSXZOOQJIBF-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorbenzeen (hcb)"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_118-74-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCB" ;
skos:prefLabel "hexachloorbenzeen"@nl ;
vcs:vmmParameterId "244"^^xsd:int .
csc:QHTQREMOGMZHJV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34192 ;
dbo:casNumber "28249-77-6" ;
dbo:formula "C12H16ClNOS" ;
dbo:inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "S-[(4-chlorophenyl)methyl] diethylaminomethanethioate"@en ;
dbo:pubchem "34192"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=QHTQREMOGMZHJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tobcb" ;
skos:prefLabel "thiobencarb"@nl .
csc:ALRLPDGCPYIVHP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21694 ;
dbo:casNumber "5522-43-0" , "63021-86-3" ;
dbo:formula "C16H9NO2" ;
dbo:inchi "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H" ;
dbo:iupacName "1-Nitropyrene"@en ;
dbo:pubchem "21694"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ALRLPDGCPYIVHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1NO2Pyr" ;
skos:prefLabel "1-nitropyreen"@nl .
csc:CHEMONTID_0000001
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000001 ;
skos:definition "Compounds that do not contain a C atom. Exceptions are made for isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon trioxide, carbon suboxide, and dicarbon monoxide."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000001" ;
skos:prefLabel "Inorganic compounds"@en ;
skos:topConceptOf vlcs:chemische_stof .
csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91650 ;
dbo:casNumber "53112-28-0" ;
dbo:formula "C12H13N3" ;
dbo:inchi "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)" ;
dbo:iupacName "4,6-dimethyl-N-phenylpyrimidin-2-amine"@en ;
dbo:pubchem "91650"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C" ;
dbp:inchikey "InChIKey=ZLIBICFPKPWGIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_53112-28-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrmtnl" ;
skos:prefLabel "pyrimethanil"@nl ;
vcs:vmmParameterId "1037"^^xsd:int .
csc:BYYMILHAKOURNM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19587 ;
dbo:casNumber "3766-60-7" ;
dbo:formula "C12H13ClN2O" ;
dbo:inchi "InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)" ;
dbo:iupacName "1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea"@en ;
dbo:pubchem "19587"^^xsd:int ;
dbo:smiles "CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=BYYMILHAKOURNM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butrn" ;
skos:prefLabel "buturon"@nl .
csc:RRPCXIBGXYGQNC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20661 ;
dbo:casNumber "4537-15-9" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3" ;
dbo:iupacName "undecan-5-ylbenzene"@en ;
dbo:pubchem "20661"^^xsd:int ;
dbo:smiles "CCCCCCC(CCCC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=RRPCXIBGXYGQNC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4yC7yBen" ;
skos:prefLabel "1-(butylheptyl)-benzeen"@nl .
csc:ZQSIJRDFPHDXIC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281708 ;
dbo:casNumber "486-66-8" ;
dbo:formula "C15H10O4" ;
dbo:inchi "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H" ;
dbo:iupacName "7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one"@en ;
dbo:pubchem "5281708"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O" ;
dbp:inchikey "InChIKey=ZQSIJRDFPHDXIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "daizine" ;
skos:prefLabel "daidzeine"@nl .
csc:CHEMONTID_0002768
skos:narrower csc:SSIZLKDLDKIHEV-UHFFFAOYSA-N .
csc:JBKVHLHDHHXQEQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7768 ;
dbo:casNumber "2953-03-9" , "32838-23-6" , "168214-28-6" , "105-60-2" , "32838-21-4" , "117955-36-9" , "34876-18-1" ;
dbo:formula "C6H11NO" ;
dbo:inchi "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)" ;
dbo:iupacName "azepan-2-one"@en ;
dbo:pubchem "7768"^^xsd:int ;
dbo:smiles "C1CCC(=O)NCC1" ;
dbp:inchikey "InChIKey=JBKVHLHDHHXQEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000163 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ecapltm" ;
skos:prefLabel "epsilon-caprolactam"@nl .
csc:YNVGQYHLRCDXFQ-XGXHKTLJSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5857 ;
dbo:casNumber "52-76-6" ;
dbo:formula "C20H28O" ;
dbo:inchi "InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "5857"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34" ;
dbp:inchikey "InChIKey=YNVGQYHLRCDXFQ-XGXHKTLJSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lyntnl" ;
skos:prefLabel "lynestrenol"@nl .
csc:CHEMONTID_0000542
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000542 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a lanthanide."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CETPSERCERDGAM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000542" ;
skos:prefLabel "Lanthanide oxides"@en .
csc:CHEMONTID_0004517
skos:narrower csc:OHPZPBNDOVQJMH-UHFFFAOYSA-N , csc:LMYRWZFENFIFIT-UHFFFAOYSA-N .
csc:VNKBTWQZTQIWDV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71482 ;
dbo:casNumber "51274-12-5" , "59217-99-1" , "35575-96-3" ;
dbo:formula "C9H10ClN2O5PS" ;
dbo:inchi "InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3" ;
dbo:iupacName "6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one"@en ;
dbo:pubchem "71482"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O" ;
dbp:inchikey "InChIKey=VNKBTWQZTQIWDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azmtfs" ;
skos:prefLabel "azamethifos"@nl .
csc:CXNVOWPRHWWCQR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7251 ;
dbo:casNumber "95-69-2" , "87999-30-2" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "4-Chloro-2-methylaniline"@en ;
dbo:pubchem "7251"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)N" ;
dbp:inchikey "InChIKey=CXNVOWPRHWWCQR-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-2-methylaniline (p-chloor-o-toluidine)"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2C1yAn" ;
skos:prefLabel "4-chloor-2-methylaniline"@nl .
csc:OMFRMAHOUUJSGP-UNOMPAQXSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5281872 ;
dbo:casNumber "92880-79-0" , "82657-04-3" ;
dbo:formula "C23H22ClF3O2" ;
dbo:inchi "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-" ;
dbo:iupacName "['(2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "5281872"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=OMFRMAHOUUJSGP-UNOMPAQXSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biftn" ;
skos:prefLabel "bifenthrin"@nl .
csc:CHEMONTID_0002285
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002285 ;
skos:definition "Compounds containing a carboximidic group, with the general formula R-C(=NR1)OR2."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QGLZXHRNAYXIBU-WEVVVXLNSA-N , csc:UHXUZOCRWCRNSJ-QPJJXVBHSA-N , csc:JOYRKODLDBILNP-UHFFFAOYSA-N , csc:WYVVKGNFXHOCQV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002285" ;
skos:prefLabel "Carboximidic acids and derivatives"@en .
csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15546 ;
dbo:casNumber "1698-60-8" , "58858-18-7" ;
dbo:formula "C10H8ClN3O" ;
dbo:inchi "InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2" ;
dbo:iupacName "5-amino-4-chloro-2-phenylpyridazin-3-one"@en ;
dbo:pubchem "15546"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl" ;
dbp:inchikey "InChIKey=WYKYKTKDBLFHCY-UHFFFAOYSA-N" ;
skos:altLabel "chloridazon"@nl ;
skos:broader csc:CHEMONTID_0000208 ;
skos:exactMatch wise:CAS_1698-60-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clidzn" ;
skos:prefLabel "chloridazon (pyrazon)"@nl ;
vcs:vmmParameterId "753"^^xsd:int .
csc:PXUULQAPEKKVAH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67542 ;
dbo:casNumber "307-24-4" ;
dbo:formula "C6HF11O2" ;
dbo:inchi "InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid"@en ;
dbo:pubchem "67542"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=PXUULQAPEKKVAH-UHFFFAOYSA-N" ;
skos:altLabel "perfluorhexaanzuur"@nl , "perfluor-n-hexaanzuur"@nl , "perfluorhexaanzuur (pfhxa)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHxA" ;
skos:prefLabel "perfluor-n-hexaanzuur (pfhxa)"@nl .
csc:MIZGSAALSYARKU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92292 ;
dbo:casNumber "155667-06-4" , "33704-61-9" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3" ;
dbo:iupacName "1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one"@en ;
dbo:pubchem "92292"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C" ;
dbp:inchikey "InChIKey=MIZGSAALSYARKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DPMI" ;
skos:prefLabel "cashmeran"@nl .
csc:CHEMONTID_0004660
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004660 ;
skos:definition "Aromatic compounds containing a benzo-1,2,3-triazine, which is substituted by an organothiophosphate group at the 3-position. Their general structure is R-CSP(=S)(OR')OR'', where R=benzo-1,2,3-triazine, R',R\\\" = any atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RQVGAIADHNPSME-UHFFFAOYSA-N , csc:CJJOSEISRRTUQB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004660" ;
skos:prefLabel "Benzotriazine organothiophosphates"@en .
csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123591 ;
dbo:casNumber "99685-96-8" ;
dbo:formula "C60" ;
dbo:inchi "InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59" ;
dbo:iupacName "(C60-Ih)[5,6]fullerene"@en ;
dbo:pubchem "123591"^^xsd:int ;
dbo:smiles "C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23" ;
dbp:inchikey "InChIKey=XMWRBQBLMFGWIX-UHFFFAOYSA-N" ;
skos:altLabel "fullereen C60"@nl ;
skos:broader csc:CHEMONTID_0000518 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fullrnC60" ;
skos:prefLabel "fullereen c60"@nl .
csc:VTLYFUHAOXGGBS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:29936 ;
dbo:casNumber "20074-52-6" ;
dbo:formula "Fe+3" ;
dbo:inchi "InChI=1S/Fe/q+3" ;
dbo:iupacName "iron(+3) cation"@en ;
dbo:pubchem "29936"^^xsd:int ;
dbo:smiles "[Fe+3]" ;
dbp:inchikey "InChIKey=VTLYFUHAOXGGBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeIII" ;
skos:prefLabel "ijzer (driewaardig)"@nl .
csc:CHEMONTID_0000457
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000457 ;
skos:definition "Inorganic compounds belonging either to the alkaline earth metal hydrides, the alkaline earth metal nitrides, the alkaline earth metal oxides, or the alkaline earth metal sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000457" ;
skos:prefLabel "Alkaline earth metal organides"@en .
csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:47650 ;
dbo:casNumber "65510-44-3" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "47650"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YAHNWSSFXMVPOU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 123"@nl , "2,3',4,4',5'-pentachloorbifenyl"@nl , "2',3,4,4',5-pentachloorbifenyl (pcb123)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_65510-44-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB123" ;
skos:prefLabel "PCB 123"@nl ;
vcs:vmmParameterId "1376"^^xsd:int .
csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462310 ;
dbo:casNumber "7440-44-0" ;
dbo:formula "C" ;
dbo:inchi "InChI=1S/C" ;
dbo:iupacName "Carbon"@en ;
dbo:pubchem "5462310"^^xsd:int ;
dbo:smiles "[C]" ;
dbp:inchikey "InChIKey=OKTJSMMVPCPJKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:BOC_versie_2.1 , co:WAC_III_D_050 , co:LUC_IV_011 , co:LUC_IV_012 , co:CMA_2_II_A.7 , co:CMA_1_A.6 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0000000 ;
skos:exactMatch wise:CAS_7440-44-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C" ;
skos:prefLabel "koolstof"@nl ;
vcs:vmmParameterId "1253"^^xsd:int , "1285"^^xsd:int .
csc:JJGYGPZNTOPXGV-SSTWWWIQSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5462507 ;
dbo:casNumber "2784-73-8" ;
dbo:formula "C19H21NO4" ;
dbo:inchi "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1" ;
dbo:iupacName "[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate"@en ;
dbo:pubchem "5462507"^^xsd:int ;
dbo:smiles "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C" ;
dbp:inchikey "InChIKey=JJGYGPZNTOPXGV-SSTWWWIQSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6oMactmfne" ;
skos:prefLabel "6-o-monoacetylmorfine"@nl .
csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16826 ;
dbo:casNumber "2307-68-8" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)" ;
dbo:iupacName "N-(3-Chloro-4-methylphenyl)-2-methylpentanamide"@en ;
dbo:pubchem "16826"^^xsd:int ;
dbo:smiles "CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl" ;
dbp:inchikey "InChIKey=WGVWLKXZBUVUAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PenCl" ;
skos:prefLabel "pentanochloor"@nl .
csc:VSHTWPWTCXQLQN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14310 ;
dbo:casNumber "1126-78-9" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3" ;
dbo:iupacName "N-Butylaniline"@en ;
dbo:pubchem "14310"^^xsd:int ;
dbo:smiles "CCCCNC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=VSHTWPWTCXQLQN-UHFFFAOYSA-N" ;
skos:altLabel "N-butylaniline"@nl ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC4yAn" ;
skos:prefLabel "n-butylaniline"@nl .
csc:WEXRUCMBJFQVBZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4737 ;
dbo:casNumber "76-74-4" ;
dbo:formula "C11H18N2O3" ;
dbo:inchi "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "4737"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC" ;
dbp:inchikey "InChIKey=WEXRUCMBJFQVBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pentbbtl" ;
skos:prefLabel "pentobarbital"@nl .
csc:HTDJPCNNEPUOOQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10914 ;
dbo:casNumber "541-05-9" ;
dbo:formula "C6H18O3Si3" ;
dbo:inchi "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3" ;
dbo:iupacName "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane"@en ;
dbo:pubchem "10914"^^xsd:int ;
dbo:smiles "C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C" ;
dbp:inchikey "InChIKey=HTDJPCNNEPUOOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004445 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yccTslxn" ;
skos:prefLabel "hexamethylcyclotrisiloxaan"@nl .
csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13089 ;
dbo:casNumber "58633-26-4" , "789-02-6" ;
dbo:formula "C14H9Cl5" ;
dbo:inchi "InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H" ;
dbo:iupacName "1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "13089"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CVUGPAFCQJIYDT-UHFFFAOYSA-N" ;
skos:altLabel "2,4'-dichloordifenyltrichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_789-02-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDT" ;
skos:prefLabel "o,p’-ddt"@nl ;
vcs:vmmParameterId "257"^^xsd:int .
csc:GPAPPPVRLPGFEQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6625 ;
dbo:casNumber "80-07-9" , "85228-26-8" ;
dbo:formula "C12H8Cl2O2S" ;
dbo:inchi "InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H" ;
dbo:iupacName "1-chloro-4-(4-chlorophenyl)sulfonylbenzene"@en ;
dbo:pubchem "6625"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=GPAPPPVRLPGFEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DClDFysfn" ;
skos:prefLabel "4,4'-dichloordifenylsulfon"@nl .
csc:CHEMONTID_0001122
skos:narrower csc:IUJDSEJGGMCXSG-UHFFFAOYSA-N .
csc:JOVOSQBPPZZESK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60962 ;
dbo:casNumber "100-63-0" , "27140-08-5" , "59-88-1" ;
dbo:formula "C6H9ClN2" ;
dbo:inchi "InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H" ;
dbo:iupacName "PHENYLHYDRAZINE HYDROCHLORIDE"@en ;
dbo:pubchem "60962"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NN.Cl" ;
dbp:inchikey "InChIKey=JOVOSQBPPZZESK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fyhdzne" ;
skos:prefLabel "fenylhydrazine"@nl .
csc:CUKXSBOAIJILRY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:162181 ;
dbo:casNumber "62572-94-5" ;
dbo:formula "C14H23NO3" ;
dbo:inchi "InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3" ;
dbo:iupacName "1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "162181"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCO)O" ;
dbp:inchikey "InChIKey=CUKXSBOAIJILRY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "odC1ymtpll" ;
skos:prefLabel "o-desmethylmetoprolol"@nl .
csc:RZCJYMOBWVJQGV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8422 ;
dbo:casNumber "120-23-0" ;
dbo:formula "C12H10O3" ;
dbo:inchi "InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)" ;
dbo:iupacName "2-naphthalen-2-yloxyacetic acid"@en ;
dbo:pubchem "8422"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)OCC(=O)O" ;
dbp:inchikey "InChIKey=RZCJYMOBWVJQGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NyOxHac" ;
skos:prefLabel "2-nafthyloxyazijnzuur"@nl .
csc:WTLBZVNBAKMVDP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6540 ;
dbo:casNumber "119166-98-2" , "31227-66-4" , "19040-50-7" , "78-51-3" ;
dbo:formula "C18H39O7P" ;
dbo:inchi "InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3" ;
dbo:iupacName "Tris(2-butoxyethyl) phosphate"@en ;
dbo:pubchem "6540"^^xsd:int ;
dbo:smiles "CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC" ;
dbp:inchikey "InChIKey=WTLBZVNBAKMVDP-UHFFFAOYSA-N" ;
skos:altLabel "tris(2-butoxyethyl)fosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris2C4oxC2y" ;
skos:prefLabel "tributoxyethylfosfaat"@nl .
csc:XVOKUMIPKHGGTN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54740 ;
dbo:casNumber "81335-77-5" ;
dbo:formula "C15H19N3O3" ;
dbo:inchi "InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)" ;
dbo:iupacName "5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en ;
dbo:pubchem "54740"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=XVOKUMIPKHGGTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imztpr" ;
skos:prefLabel "imazethapyr"@nl .
csc:YLKFDHTUAUWZPQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12130 ;
dbo:casNumber "621-64-7" ;
dbo:formula "C6H14N2O" ;
dbo:inchi "InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "N,N-dipropylnitrous amide"@en ;
dbo:pubchem "12130"^^xsd:int ;
dbo:smiles "CCCN(CCC)N=O" ;
dbp:inchikey "InChIKey=YLKFDHTUAUWZPQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yNOAe" ;
skos:prefLabel "dipropylnitrosamine"@nl .
csc:XXOYNJXVWVNOOJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7560 ;
dbo:casNumber "101-42-8" ;
dbo:formula "C9H12N2O" ;
dbo:inchi "InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)" ;
dbo:iupacName "1,1-Dimethyl-3-phenylurea"@en ;
dbo:pubchem "7560"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=XXOYNJXVWVNOOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenrn" ;
skos:prefLabel "fenuron"@nl .
csc:CHEMONTID_0004013
skos:narrower csc:VLCYCUFDXXZIOY-ZFGAUFRASA-N , csc:IXORZMNAPKEEDV-QTWFBFKQSA-N .
csc:ORFWYUFLWUWSFM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12588 ;
dbo:casNumber "646-13-9" ;
dbo:formula "C22H44O2" ;
dbo:inchi "InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl octadecanoate"@en ;
dbo:pubchem "12588"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)OCC(C)C" ;
dbp:inchikey "InChIKey=ORFWYUFLWUWSFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IC4ysart" ;
skos:prefLabel "isobutylstearaat"@nl .
csc:CHEMONTID_0003412
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003412 ;
skos:definition "Organic heterocyclic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003412" ;
skos:prefLabel "Benzothiopyrans"@en .
csc:TZOVOULUMXXLOJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66027 ;
dbo:casNumber "103-19-5" ;
dbo:formula "C14H14S2" ;
dbo:inchi "InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-4-(4-methylphenyl)disulfanylbenzene"@en ;
dbo:pubchem "66027"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C" ;
dbp:inchikey "InChIKey=TZOVOULUMXXLOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDFyeDS" ;
skos:prefLabel "dimethyldifenyleendisulfide"@nl .
csc:CHEMONTID_0001663
skos:narrower csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N , csc:CUJJSLYROAWARJ-UHFFFAOYSA-N .
csc:XUIIKFGFIJCVMT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:853 ;
dbo:casNumber "51-48-9" , "300-30-1" ;
dbo:formula "C15H11I4NO4" ;
dbo:inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)" ;
dbo:iupacName "2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid"@en ;
dbo:pubchem "853"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N" ;
dbp:inchikey "InChIKey=XUIIKFGFIJCVMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levtrxne" ;
skos:prefLabel "levothyroxine"@nl .
csc:CHEMONTID_0000436
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000436 ;
skos:definition "Organic compounds comprising a five-member nitrogen heterocyclic ring containing at least one other non-carbon atom of either nitrogen, sulfur, or oxygen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000436" ;
skos:prefLabel "Azoles"@en .
csc:OMOLDRXZKFFGJI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3035207 ;
dbo:casNumber "53380-22-6" ;
dbo:formula "C11H15NO3S" ;
dbo:inchi "InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "3035207"^^xsd:int ;
dbo:smiles "CCS(=O)CC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=OMOLDRXZKFFGJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcbSO" ;
skos:prefLabel "ethiofencarbsulfoxide"@nl .
csc:ICUTUKXCWQYESQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7547 ;
dbo:casNumber "101-20-2" ;
dbo:formula "C13H9Cl3N2O" ;
dbo:inchi "InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)" ;
dbo:iupacName "3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea"@en ;
dbo:pubchem "7547"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ICUTUKXCWQYESQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tccbn" ;
skos:prefLabel "triclocarban"@nl .
csc:IATXFPUBPMZBPH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11555 ;
dbo:casNumber "591-01-5" , "141-83-3" ;
dbo:formula "C4H14N8O6S" ;
dbo:inchi "InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)" ;
dbo:iupacName "diaminomethylideneurea;sulfuric acid"@en ;
dbo:pubchem "11555"^^xsd:int ;
dbo:smiles "C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=IATXFPUBPMZBPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "guanurum" ;
skos:prefLabel "guanylureum"@nl .
csc:CHEMONTID_0001180
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001180 ;
skos:definition "Organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SSBRSHIQIANGKS-UHFFFAOYSA-N , csc:IATXFPUBPMZBPH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001180" ;
skos:prefLabel "Organic sulfuric acids"@en .
csc:GZJNBGYLANALSV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17212 ;
dbo:casNumber "2487-01-6" ;
dbo:formula "C13H16N2O6" ;
dbo:inchi "InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3" ;
dbo:iupacName "(2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate"@en ;
dbo:pubchem "17212"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C" ;
dbp:inchikey "InChIKey=GZJNBGYLANALSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medntactt" ;
skos:prefLabel "medinoterbacetaat"@nl .
csc:OCWLYWIFNDCWRZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13357 ;
dbo:casNumber "868-57-5" , "53955-81-0" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3" ;
dbo:iupacName "METHYL 2-METHYLBUTANOATE"@en ;
dbo:pubchem "13357"^^xsd:int ;
dbo:smiles "CCC(C)C(=O)OC" ;
dbp:inchikey "InChIKey=OCWLYWIFNDCWRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y2C1ybtrt" ;
skos:prefLabel "methyl-2-methylbutyraat"@nl .
csc:CHEMONTID_0002811
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002811 ;
skos:definition "Organic compounds containing a phenylpropane moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UFNOUKDBUJZYDE-UHFFFAOYSA-N , csc:NVHBFHMWJJMQTG-UHFFFAOYSA-N , csc:ZYHMJXZULPZUED-UHFFFAOYSA-N , csc:CYEKUDPFXBLGHH-UHFFFAOYSA-N , csc:DWFZBUWUXWZWKD-UHFFFAOYSA-N , csc:VEVZCONIUDBCDC-UHFFFAOYSA-N , csc:YTZKOQUCBOVLHL-UHFFFAOYSA-N , csc:YQZBFMJOASEONC-UHFFFAOYSA-N , csc:ODLMAHJVESYWTB-UHFFFAOYSA-N , csc:QCCDLTOVEPVEJK-UHFFFAOYSA-N , csc:UGPWRRVOLLMHSC-UHFFFAOYSA-N , csc:IXSZQYVWNJNRAL-UHFFFAOYSA-N , csc:RYAUSSKQMZRMAI-ALOPSCKCSA-N , csc:XESZUVZBAMCAEJ-UHFFFAOYSA-N , csc:XOUQAVYLRNOXDO-UHFFFAOYSA-N , csc:ZZYSLNWGKKDOML-UHFFFAOYSA-N , csc:JYCQQPHGFMYQCF-UHFFFAOYSA-N , csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N , csc:BDCFWIDZNLCTMF-UHFFFAOYSA-N , csc:BVUXDWXKPROUDO-UHFFFAOYSA-N , csc:KXUHSQYYJYAXGZ-UHFFFAOYSA-N , csc:ICKWICRCANNIBI-UHFFFAOYSA-N , csc:DKCPKDPYUFEZCP-UHFFFAOYSA-N , csc:PRLINSMUYJWPBL-UHFFFAOYSA-N , csc:PFEFOYRSMXVNEL-UHFFFAOYSA-N , csc:ZJMWRROPUADPEA-UHFFFAOYSA-N , csc:VTRWMTJQBQJKQH-UHFFFAOYSA-N , csc:YQHLDYVWEZKEOX-UHFFFAOYSA-N , csc:XSXWOBXNYNULJG-UHFFFAOYSA-N , csc:WJQOZHYUIDYNHM-UHFFFAOYSA-N , csc:LBCZOTMMGHGTPH-UHFFFAOYSA-N , csc:NRZWYNLTFLDQQX-UHFFFAOYSA-N , csc:QHPQWRBYOIRBIT-UHFFFAOYSA-N , csc:PGVOXXHNGYYHHB-UHFFFAOYSA-N , csc:HOXINJBQVZWYGZ-UHFFFAOYSA-N , csc:HHRACYLRBOUBKM-UHFFFAOYSA-N , csc:RIWRBSMFKVOJMN-UHFFFAOYSA-N , csc:MGNFYQILYYYUBS-UHFFFAOYSA-N , csc:YKFRAOGHWKADFJ-UHFFFAOYSA-N , csc:SNKLPZOJLXDZCW-UHFFFAOYSA-N , csc:LCHYEKKJCUJAKN-UHFFFAOYSA-N , csc:DNXXUUPUQXSUFH-UHFFFAOYSA-N , csc:BOFHKBLZOYVHSI-UHFFFAOYSA-N , csc:QCWXDVFBZVHKLV-UHFFFAOYSA-N , csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002811" ;
skos:prefLabel "Phenylpropanes"@en .
csc:NSWAMPCUPHPTTC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:56160 ;
dbo:casNumber "90982-32-4" , "94365-91-0" ;
dbo:formula "C15H15ClN4O6S" ;
dbo:inchi "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)" ;
dbo:iupacName "ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "56160"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC" ;
dbp:inchikey "InChIKey=NSWAMPCUPHPTTC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlormrC2y" ;
skos:prefLabel "chlorimuron-ethyl"@nl .
csc:CHEMONTID_0001578
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001578 ;
skos:definition "Organic compounds containing a benzene ring fused to a furanone."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001578" ;
skos:prefLabel "Benzofuranones"@en .
csc:HOXINJBQVZWYGZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16683004 ;
dbo:casNumber "13356-08-6" , "57547-75-8" , "12684-28-5" ;
dbo:formula "C60H78OSn2" ;
dbo:inchi "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;" ;
dbo:iupacName "tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane"@en ;
dbo:pubchem "16683004"^^xsd:int ;
dbo:smiles "CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6" ;
dbp:inchikey "InChIKey=HOXINJBQVZWYGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_13356-08-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbtSnO" ;
skos:prefLabel "fenbutatinoxide"@nl ;
vcs:vmmParameterId "692"^^xsd:int .
csc:CHEMONTID_0003953
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003953 ;
skos:definition "Compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MCJGNVYPOGVAJF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003953" ;
skos:prefLabel "8-hydroxyquinolines"@en .
csc:FROBCXTULYFHEJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86122 ;
dbo:casNumber "111479-05-1" ;
dbo:formula "C22H22ClN3O5" ;
dbo:inchi "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3" ;
dbo:iupacName "2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "86122"^^xsd:int ;
dbo:smiles "CC(C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "InChIKey=FROBCXTULYFHEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propqzfp" ;
skos:prefLabel "propaquizafop"@nl .
csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6028 ;
dbo:casNumber "12698-64-5" , "58-90-2" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H" ;
dbo:iupacName "2,3,4,6-Tetrachlorophenol"@en ;
dbo:pubchem "6028"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl" ;
dbp:inchikey "InChIKey=VGVRPFIJEJYOFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_58-90-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2346T4ClFol" ;
skos:prefLabel "2,3,4,6-tetrachloorfenol"@nl ;
vcs:vmmParameterId "336"^^xsd:int .
csc:CHEMONTID_0000494
skos:narrower csc:ZQSIJRDFPHDXIC-UHFFFAOYSA-N , csc:TZBJGXHYKVUXJN-UHFFFAOYSA-N .
csc:FWFSEYBSWVRWGL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13594 ;
dbo:casNumber "25512-62-3" , "31830-39-4" , "930-68-7" ;
dbo:formula "C6H8O" ;
dbo:inchi "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2" ;
dbo:iupacName "Cyclohex-2-en-1-one"@en ;
dbo:pubchem "13594"^^xsd:int ;
dbo:smiles "C1CC=CC(=O)C1" ;
dbp:inchikey "InChIKey=FWFSEYBSWVRWGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ccC6e1on" ;
skos:prefLabel "2-cyclohexen-1-on"@nl .
csc:CHEMONTID_0000500
skos:narrower csc:NMWSKOLWZZWHPL-UHFFFAOYSA-N , csc:LAXBNTIAOJWAOP-UHFFFAOYSA-N , csc:FPWNLURCHDRMHC-UHFFFAOYSA-N .
csc:LFNLGNPSGWYGGD-NJFSPNSNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104958 ;
dbo:casNumber "13968-59-7" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+2" ;
dbo:iupacName "neptunium-239"@en ;
dbo:pubchem "104958"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "InChIKey=LFNLGNPSGWYGGD-NJFSPNSNSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np239" ;
skos:prefLabel "neptunium 239"@nl .
csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3048 ;
dbo:casNumber "128-10-9" , "72-20-8" , "60-57-1" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2" ;
dbo:iupacName "3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene"@en ;
dbo:pubchem "3048"^^xsd:int ;
dbo:smiles "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=DFBKLUNHFCTMDC-UHFFFAOYSA-N" ;
skos:altLabel "dieldrin"@nl ;
skos:broader csc:CHEMONTID_0001549 ;
skos:exactMatch wise:CAS_72-20-8 , wise:CAS_60-57-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endn" , "dieldn" ;
skos:prefLabel "endrin"@nl ;
vcs:vmmParameterId "235"^^xsd:int , "239"^^xsd:int .
csc:UWSDONTXWQOZFN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7526 ;
dbo:casNumber "100-75-4" , "68374-62-9" ;
dbo:formula "C5H10N2O" ;
dbo:inchi "InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2" ;
dbo:iupacName "1-Nitrosopiperidine"@en ;
dbo:pubchem "7526"^^xsd:int ;
dbo:smiles "C1CCN(CC1)N=O" ;
dbp:inchikey "InChIKey=UWSDONTXWQOZFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002442 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NOpprdne" ;
skos:prefLabel "nitrosopiperidine"@nl .
csc:KWKXNDCHNDYVRT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31237 ;
dbo:casNumber "28776-38-7" , "68442-69-3" , "123-01-3" , "29986-57-0" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3" ;
dbo:iupacName "Dodecylbenzene"@en ;
dbo:pubchem "31237"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=KWKXNDCHNDYVRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodcBen" ;
skos:prefLabel "dodecylbenzeen"@nl .
csc:NQQVFXUMIDALNH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15965 ;
dbo:casNumber "1918-02-1" ;
dbo:formula "C6H3Cl3N2O2" ;
dbo:inchi "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)" ;
dbo:iupacName "4-Amino-3,5,6-trichloropyridine-2-carboxylic acid"@en ;
dbo:pubchem "15965"^^xsd:int ;
dbo:smiles "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N" ;
dbp:inchikey "InChIKey=NQQVFXUMIDALNH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "picrm" ;
skos:prefLabel "picloram"@nl .
csc:CHEMONTID_0001016
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001016 ;
skos:definition "Saturated monocyclic hydrocarbons (with or without side chains)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JJWIOXUMXIOXQN-UHFFFAOYSA-N , csc:IFTRQJLVEBNKJK-UHFFFAOYSA-N , csc:GWESVXSMPKAFAS-UHFFFAOYSA-N , csc:SRONXYPFSAKOGH-UHFFFAOYSA-N , csc:VLHZQNGNJQYAIZ-UHFFFAOYSA-N , csc:UAEPNZWRGJTJPN-UHFFFAOYSA-N , csc:PSPNTGGVAYLSJO-UHFFFAOYSA-N , csc:XDTMQSROBMDMFD-UHFFFAOYSA-N , csc:ODNRTOSCFYDTKF-UHFFFAOYSA-N , csc:RGSFGYAAUTVSQA-UHFFFAOYSA-N , csc:DDTBPAQBQHZRDW-UHFFFAOYSA-N , csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001016" ;
skos:prefLabel "Cycloalkanes"@en .
csc:SFYPSBLCFRKKDT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17611 ;
dbo:casNumber "67924-78-1" , "58318-52-8" , "37353-58-5" , "2702-72-9" ;
dbo:formula "C8H5Cl2NaO3" ;
dbo:inchi "InChI=1S/C8H5Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-8(12)4-11;/h1-3H,4H2;/q-1;+1" ;
dbo:iupacName "sodium 2-(2,4-dichlorophenoxy)-2-oxoethanolate"@en ;
dbo:pubchem "17611"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OC(=O)C[O-].[Na+]" ;
dbp:inchikey "InChIKey=SFYPSBLCFRKKDT-UHFFFAOYSA-N" ;
skos:altLabel "2,4-d natrium zout"@nl ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNazt" ;
skos:prefLabel "2,4-D natrium zout"@nl .
csc:RUPBZQFQVRMKDG-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23558 ;
dbo:casNumber "126851-24-9" , "7173-51-5" , "154765-32-9" ;
dbo:formula "C22H48ClN" ;
dbo:inchi "InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "didecyl-dimethylazanium chloride"@en ;
dbo:pubchem "23558"^^xsd:int ;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]" ;
dbp:inchikey "InChIKey=RUPBZQFQVRMKDG-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDMAC" ;
skos:prefLabel "didecyldimethylammoniumchloride"@nl .
csc:ZNRZGJAHNMGWQN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23046 ;
dbo:casNumber "6552-12-1" ;
dbo:formula "C10H15O4PS" ;
dbo:inchi "InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate"@en ;
dbo:pubchem "23046"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC" ;
dbp:inchikey "InChIKey=ZNRZGJAHNMGWQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoOon" ;
skos:prefLabel "fenthion-oxon"@nl .
csc:CHEMONTID_0003385
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003385 ;
skos:definition "Organic compounds that contain dithiophosphoric acid or a derivative thereof, with the general formula ROP(S)(=S)OR', (R,R'=H, or organyl group)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003385" ;
skos:prefLabel "Organic dithiophosphoric acids and derivatives"@en .
csc:ZQPPMHVWECSIRJ-MDZDMXLPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637517 ;
dbo:casNumber "112-79-8" , "2027-47-6" , "112-80-1" , "1120-45-2" ;
dbo:formula "C18H34O2" ;
dbo:inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+" ;
dbo:iupacName "['(E)-octadec-9-enoic acid', 'octadec-9-enoic acid']"@en ;
dbo:pubchem "637517"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=ZQPPMHVWECSIRJ-MDZDMXLPSA-N" ;
skos:altLabel "trans-9-octadeceenzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "olinzr" , "t9C18ezr" ;
skos:prefLabel "oleinezuur"@nl .
csc:XDDAORKBJWWYJS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3496 ;
dbo:casNumber "1071-83-6" , "40465-66-5" ;
dbo:formula "C3H8NO5P" ;
dbo:inchi "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)" ;
dbo:iupacName "2-(phosphonomethylamino)acetic acid"@en ;
dbo:pubchem "3496"^^xsd:int ;
dbo:smiles "C(C(=O)O)NCP(=O)(O)O" ;
dbp:inchikey "InChIKey=XDDAORKBJWWYJS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_029 ;
skos:broader csc:CHEMONTID_0000060 ;
skos:exactMatch wise:CAS_1071-83-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfst" ;
skos:prefLabel "glyfosaat"@nl ;
vcs:vmmParameterId "763"^^xsd:int .
csc:KZBOXYKTSUUBTO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12075 ;
dbo:casNumber "619-15-8" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "2-Methyl-1,4-dinitrobenzene"@en ;
dbo:pubchem "12075"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=KZBOXYKTSUUBTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DNO2Tol" ;
skos:prefLabel "2,5-dinitrotolueen"@nl .
csc:IIPZYDQGBIWLBU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14994 ;
dbo:casNumber "1420-07-1" ;
dbo:formula "C10H12N2O5" ;
dbo:inchi "InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3" ;
dbo:iupacName "2-tert-Butyl-4,6-dinitrophenol"@en ;
dbo:pubchem "14994"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=IIPZYDQGBIWLBU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dntb" ;
skos:prefLabel "dinoterb"@nl .
csc:ARXJGSRGQADJSQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7900 ;
dbo:casNumber "58769-19-0" , "107-98-2" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3" ;
dbo:iupacName "1-Methoxypropan-2-ol"@en ;
dbo:pubchem "7900"^^xsd:int ;
dbo:smiles "CC(COC)O" ;
dbp:inchikey "InChIKey=ARXJGSRGQADJSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1oxC3ol" ;
skos:prefLabel "1-methoxy-2-propanol"@nl .
csc:XIUROWKZWPIAIB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19395 ;
dbo:casNumber "3689-24-5" , "8054-28-2" ;
dbo:formula "C8H20O5P2S2" ;
dbo:inchi "InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "19395"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OP(=S)(OCC)OCC" ;
dbp:inchikey "InChIKey=XIUROWKZWPIAIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001572 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulftp" ;
skos:prefLabel "sulfotep"@nl .
csc:BTAGRXWGMYTPBY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38018 ;
dbo:casNumber "38380-07-3" , "11096-82-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "38018"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BTAGRXWGMYTPBY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB128" ;
skos:prefLabel "2,2',3,3',4,4'-hexachloorbifenyl"@nl .
csc:ANIAQSUBRGXWLS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9477 ;
dbo:casNumber "327-98-0" ;
dbo:formula "C10H12Cl3O2PS" ;
dbo:inchi "InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en ;
dbo:pubchem "9477"^^xsd:int ;
dbo:smiles "CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ANIAQSUBRGXWLS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClnt" ;
skos:prefLabel "trichloronaat"@nl .
csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7835 ;
dbo:casNumber "56227-39-5" , "106-89-8" , "9009-12-5" , "13403-37-7" , "6806-86-6" , "36250-81-4" , "109351-74-8" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2" ;
dbo:iupacName "2-(Chloromethyl)oxirane"@en ;
dbo:pubchem "7835"^^xsd:int ;
dbo:smiles "C1C(O1)CCl" ;
dbp:inchikey "InChIKey=BRLQWZUYTZBJKN-UHFFFAOYSA-N" ;
skos:altLabel "1-chloor-2,3-epoxypropaan(epichloorhydrine)"@nl , "epichloorhydrine"@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:exactMatch wise:CAS_106-89-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epClhdne" ;
skos:prefLabel "1-chloor-2,3-epoxypropaan (epichloorhydrine)"@nl ;
vcs:vmmParameterId "779"^^xsd:int .
csc:NUPJIGQFXCQJBK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86137 ;
dbo:casNumber "182636-13-1" , "114311-32-9" ;
dbo:formula "C15H19N3O4" ;
dbo:inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)" ;
dbo:iupacName "5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en ;
dbo:pubchem "86137"^^xsd:int ;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C" ;
dbp:inchikey "InChIKey=NUPJIGQFXCQJBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzmx" ;
skos:prefLabel "imazamox"@nl .
csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4618 ;
dbo:casNumber "301-12-2" ;
dbo:formula "C6H15O4PS2" ;
dbo:inchi "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane"@en ;
dbo:pubchem "4618"^^xsd:int ;
dbo:smiles "CCS(=O)CCSP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=PMCVMORKVPSKHZ-UHFFFAOYSA-N" ;
skos:altLabel "oxydemeton-methyl"@nl ;
skos:broader csc:CHEMONTID_0000491 ;
skos:exactMatch wise:CAS_301-12-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yOxdmtn" ;
skos:prefLabel "methyloxydemeton"@nl ;
vcs:vmmParameterId "404"^^xsd:int .
csc:CLQMBPJKHLGMQK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54738 ;
dbo:casNumber "81334-34-1" , "108224-78-8" , "94795-74-1" ;
dbo:formula "C13H15N3O3" ;
dbo:inchi "InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)" ;
dbo:iupacName "2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en ;
dbo:pubchem "54738"^^xsd:int ;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C" ;
dbp:inchikey "InChIKey=CLQMBPJKHLGMQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzpr" ;
skos:prefLabel "imazapyr"@nl .
csc:CHEMONTID_0004050
skos:narrower csc:BHFJBHMTEDLICO-UHFFFAOYSA-N .
csc:NHDHVHZZCFYRSB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91753 ;
dbo:casNumber "126040-81-1" , "95737-68-1" ;
dbo:formula "C20H19NO3" ;
dbo:inchi "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3" ;
dbo:iupacName "2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine"@en ;
dbo:pubchem "91753"^^xsd:int ;
dbo:smiles "CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3" ;
dbp:inchikey "InChIKey=NHDHVHZZCFYRSB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrpxfn" ;
skos:prefLabel "pyriproxyfen"@nl .
csc:UKMSUNONTOPOIO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8215 ;
dbo:casNumber "112-85-6" , "16529-65-0" ;
dbo:formula "C22H44O2" ;
dbo:inchi "InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)" ;
dbo:iupacName "Docosanoic acid"@en ;
dbo:pubchem "8215"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=UKMSUNONTOPOIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C22azr" ;
skos:prefLabel "docosaanzuur"@nl .
csc:CMSMOCZEIVJLDB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2907 ;
dbo:casNumber "60007-95-6" , "60030-72-0" , "60007-96-7" , "50-18-0" , "75526-90-8" ;
dbo:formula "C7H15Cl2N2O2P" ;
dbo:inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)" ;
dbo:iupacName "['(2S)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine', '(2R)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine']"@en ;
dbo:pubchem "2907"^^xsd:int ;
dbo:smiles "C1CNP(=O)(OC1)N(CCCl)CCCl" ;
dbp:inchikey "InChIKey=CMSMOCZEIVJLDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000398 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycffAd" ;
skos:prefLabel "cyclofosfamide"@nl .
csc:AFZSMODLJJCVPP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8447 ;
dbo:casNumber "120-78-5" , "109767-80-8" ;
dbo:formula "C14H8N2S4" ;
dbo:inchi "InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H" ;
dbo:iupacName "2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole"@en ;
dbo:pubchem "8447"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3" ;
dbp:inchikey "InChIKey=AFZSMODLJJCVPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DbztazDS" ;
skos:prefLabel "2,2-dibenzothiazyldisulfide"@nl .
csc:WMXCDAVJEZZYLT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6387 ;
dbo:casNumber "3374-16-1" , "75-66-1" , "16528-55-5" ;
dbo:formula "C4H10S" ;
dbo:inchi "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3" ;
dbo:iupacName "2-Methylpropane-2-thiol"@en ;
dbo:pubchem "6387"^^xsd:int ;
dbo:smiles "CC(C)(C)S" ;
dbp:inchikey "InChIKey=WMXCDAVJEZZYLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2C3atol" ;
skos:prefLabel "2-methyl-2-propaanthiol"@nl .
csc:YVPSNUIHHFTTRL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17425 ;
dbo:casNumber "2588-04-7" ;
dbo:formula "C7H17O4PS3" ;
dbo:inchi "InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17425"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)(=O)CC" ;
dbp:inchikey "InChIKey=YVPSNUIHHFTTRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forsfn" ;
skos:prefLabel "foraat-sulfon"@nl .
csc:QBEXFUOWUYCXNI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19730 ;
dbo:casNumber "3861-47-0" ;
dbo:formula "C15H17I2NO2" ;
dbo:inchi "InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3" ;
dbo:iupacName "(4-cyano-2,6-diiodophenyl) octanoate"@en ;
dbo:pubchem "19730"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I" ;
dbp:inchikey "InChIKey=QBEXFUOWUYCXNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ioxnOcnat" ;
skos:prefLabel "ioxynil octanoaat"@nl .
csc:UPMLOUAZCHDJJD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7570 ;
dbo:casNumber "65916-89-4" , "55157-41-0" , "97568-33-7" , "12125-47-2" , "156580-59-5" , "26447-40-5" , "77090-48-3" , "142690-07-1" , "101-68-8" , "201528-77-0" , "57460-66-9" , "88001-94-9" , "53633-14-0" , "153986-89-1" , "28515-38-0" ;
dbo:formula "C15H10N2O2" ;
dbo:inchi "InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2" ;
dbo:iupacName "1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"@en ;
dbo:pubchem "7570"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O" ;
dbp:inchikey "InChIKey=UPMLOUAZCHDJJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yeDFyDiC" ;
skos:prefLabel "4,4'-methyleendifenyldiisocyanaat"@nl .
csc:JYRXPFCUABYLPD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12704 ;
dbo:casNumber "686-07-7" ;
dbo:formula "C6H13NS2" ;
dbo:inchi "InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3" ;
dbo:iupacName "methyl diethylaminomethanedithioate"@en ;
dbo:pubchem "12704"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SC" ;
dbp:inchikey "InChIKey=JYRXPFCUABYLPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003936 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDC2yDtocb" ;
skos:prefLabel "methyl diethyldithiocarbamaat"@nl .
csc:DJKGDNKYTKCJKD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8266 ;
dbo:casNumber "7374-78-9" , "5343-97-5" , "115-28-6" ;
dbo:formula "C9H4Cl6O4" ;
dbo:inchi "InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)" ;
dbo:iupacName "1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid"@en ;
dbo:pubchem "8266"^^xsd:int ;
dbo:smiles "C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O" ;
dbp:inchikey "InChIKey=DJKGDNKYTKCJKD-UHFFFAOYSA-N" ;
skos:altLabel "HETzuur"@nl ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HETzr" ;
skos:prefLabel "hetzuur"@nl .
csc:CPJSUEIXXCENMM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4754 ;
dbo:casNumber "62-44-2" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)" ;
dbo:iupacName "N-(4-Ethoxyphenyl)acetamide"@en ;
dbo:pubchem "4754"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)NC(=O)C" ;
dbp:inchikey "InChIKey=CPJSUEIXXCENMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001846 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenctne" ;
skos:prefLabel "fenacitine"@nl .
csc:LPLLVINFLBSFRP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1576 ;
dbo:casNumber "28521-94-0" , "5650-44-2" ;
dbo:formula "C10H13NO" ;
dbo:inchi "InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3" ;
dbo:iupacName "2-methylamino-1-phenylpropan-1-one"@en ;
dbo:pubchem "1576"^^xsd:int ;
dbo:smiles "CC(C(=O)C1=CC=CC=C1)NC" ;
dbp:inchikey "InChIKey=LPLLVINFLBSFRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcinn" ;
skos:prefLabel "methcathinon"@nl .
csc:CHEMONTID_0000309
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000309 ;
skos:definition "Organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000309" ;
skos:prefLabel "Benzothiazines"@en .
csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:174 ;
dbo:casNumber "37221-95-7" , "37225-26-6" , "2219-51-4" , "25322-68-3" , "71767-64-1" , "107-21-1" ;
dbo:formula "C2H6O2" ;
dbo:inchi "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2" ;
dbo:iupacName "Ethane-1,2-diol"@en ;
dbo:pubchem "174"^^xsd:int ;
dbo:smiles "C(CO)O" ;
dbp:inchikey "InChIKey=LYCAIKOWRPUZTN-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenglycol"@nl , "glycol (monoethyleenglycol)"@nl , "ethyleenglycol "@nl ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycl" ;
skos:prefLabel "polyethyleenglycol"@nl .
csc:DMDPGPKXQDIQQG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:70931 ;
dbo:casNumber "1191-87-3" ;
dbo:formula "C12H26O6" ;
dbo:inchi "InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3" ;
dbo:iupacName "1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane"@en ;
dbo:pubchem "70931"^^xsd:int ;
dbo:smiles "COCCOCCOCCOCCOCCOC" ;
dbp:inchikey "InChIKey=DMDPGPKXQDIQQG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Peglyme" ;
skos:prefLabel "pentaglyme"@nl .
csc:AERGGMDNGDDGPI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:140640 ;
dbo:casNumber "20071-09-4" ;
dbo:formula "C16H16" ;
dbo:inchi "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2" ;
dbo:iupacName "(2-Phenylcyclobutyl)benzene"@en ;
dbo:pubchem "140640"^^xsd:int ;
dbo:smiles "C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=AERGGMDNGDDGPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DFyccC4a" ;
skos:prefLabel "trans-1,2-difenylcyclobutaan"@nl .
csc:CYQFCXCEBYINGO-IAGOWNOFSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16078 ;
dbo:casNumber "1972-08-3" , "5957-27-7" , "14146-29-3" , "26108-45-2" , "14146-43-1" , "1363-19-5" , "6465-30-1" ;
dbo:formula "C21H30O2" ;
dbo:inchi "InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1" ;
dbo:iupacName "(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol"@en ;
dbo:pubchem "16078"^^xsd:int ;
dbo:smiles "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O" ;
dbp:inchikey "InChIKey=CYQFCXCEBYINGO-IAGOWNOFSA-N" ;
skos:broader csc:CHEMONTID_0003522 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Thcannbnl" ;
skos:prefLabel "tetrahydrocannabinol"@nl .
csc:LRBQNJMCXXYXIU-PPKXGCFTSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16129778 ;
dbo:casNumber "5424-20-4" ;
dbo:formula "C76H52O46" ;
dbo:inchi "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1" ;
dbo:iupacName "[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate"@en ;
dbo:pubchem "16129778"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O" ;
dbp:inchikey "InChIKey=LRBQNJMCXXYXIU-PPKXGCFTSA-N" ;
skos:broader csc:CHEMONTID_0001710 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tannne" ;
skos:prefLabel "tannine"@nl .
csc:OROGSEYTTFOCAN-DNJOTXNNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5284371 ;
dbo:casNumber "76-57-3" ;
dbo:formula "C18H21NO3" ;
dbo:inchi "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1" ;
dbo:iupacName "(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol"@en ;
dbo:pubchem "5284371"^^xsd:int ;
dbo:smiles "CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O" ;
dbp:inchikey "InChIKey=OROGSEYTTFOCAN-DNJOTXNNSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "codine" ;
skos:prefLabel "codeine"@nl .
csc:XAMUDJHXFNRLCY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17435 ;
dbo:casNumber "61391-87-5" , "61362-00-3" , "2597-03-7" , "61361-99-7" ;
dbo:formula "C12H17O4PS2" ;
dbo:inchi "InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3" ;
dbo:iupacName "ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate"@en ;
dbo:pubchem "17435"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=XAMUDJHXFNRLCY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentat" ;
skos:prefLabel "fenthoaat"@nl .
csc:QYHFIVBSNOWOCQ-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26473 ;
dbo:casNumber "14124-68-6" ;
dbo:formula "O4Se-2" ;
dbo:inchi "InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" ;
dbo:iupacName "selenate"@en ;
dbo:pubchem "26473"^^xsd:int ;
dbo:smiles "[O-][Se](=O)(=O)[O-]" ;
dbp:inchikey "InChIKey=QYHFIVBSNOWOCQ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SeO4" ;
skos:prefLabel "selenaat"@nl .
csc:WPYMKLBDIGXBTP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:243 ;
dbo:casNumber "65-85-0" , "8013-63-6" ;
dbo:formula "C7H6O2" ;
dbo:inchi "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)" ;
dbo:iupacName "benzoic acid"@en ;
dbo:pubchem "243"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)O" ;
dbp:inchikey "InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzezr" ;
skos:prefLabel "benzoezuur"@nl .
csc:QDQHWKZZJJDBND-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60971 ;
dbo:casNumber "8007-36-1" , "78-21-7" ;
dbo:formula "C24H51NO5S" ;
dbo:inchi "InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1" ;
dbo:iupacName "4-ethyl-4-hexadecylmorpholin-4-ium; ethyl sulfate"@en ;
dbo:pubchem "60971"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]" ;
dbp:inchikey "InChIKey=QDQHWKZZJJDBND-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2y4C6ymfln" ;
skos:prefLabel "4-ethyl-4-hexadecylmorpholiniumethylsulfaat"@nl .
csc:FPWNLURCHDRMHC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16323 ;
dbo:casNumber "2051-62-9" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H" ;
dbo:iupacName "1-chloro-4-phenylbenzene"@en ;
dbo:pubchem "16323"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=FPWNLURCHDRMHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB3" ;
skos:prefLabel "4-chloorbifenyl"@nl .
csc:WXZVAROIGSFCFJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27189 ;
dbo:casNumber "15299-99-7" ;
dbo:formula "C17H21NO2" ;
dbo:inchi "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3" ;
dbo:iupacName "N,N-diethyl-2-naphthalen-1-yloxypropanamide"@en ;
dbo:pubchem "27189"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21" ;
dbp:inchikey "InChIKey=WXZVAROIGSFCFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nappAd" ;
skos:prefLabel "napropamide"@nl .
csc:DKCPKDPYUFEZCP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31405 ;
dbo:casNumber "50356-17-7" , "128-39-2" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3" ;
dbo:iupacName "2,6-ditert-butylphenol"@en ;
dbo:pubchem "31405"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O" ;
dbp:inchikey "InChIKey=DKCPKDPYUFEZCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4yFol" ;
skos:prefLabel "2,6-di-tert-butylfenol"@nl .
csc:CHEMONTID_0001515
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001515 ;
skos:definition "Compounds containing a chemical bond between a carbon atom and a bromine atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:APQIUTYORBAGEZ-UHFFFAOYSA-N , csc:QUMDOMSJJIFTCA-UHFFFAOYSA-N , csc:LEOCKULGXOQRTQ-UHFFFAOYSA-N , csc:DEIGXXQKDWULML-UHFFFAOYSA-N , csc:PAAZPARNPHGIKF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001515" ;
skos:prefLabel "Organobromides"@en .
csc:CHEMONTID_0004485
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004485 ;
skos:definition "Organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UNFUYWDGSFDHCW-UHFFFAOYSA-N , csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004485" ;
skos:prefLabel "Cyclohexyl halides"@en .
csc:SEOVTRFCIGRIMH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:802 ;
dbo:casNumber "54692-39-6" , "87-51-4" , "6305-45-9" ;
dbo:formula "C10H9NO2" ;
dbo:inchi "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)" ;
dbo:iupacName "2-(1H-indol-3-yl)acetic acid"@en ;
dbo:pubchem "802"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CN2)CC(=O)O" ;
dbp:inchikey "InChIKey=SEOVTRFCIGRIMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001252 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indlHAc" ;
skos:prefLabel "indolylazijnzuur"@nl .
csc:SDKQRNRRDYRQKY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23421 ;
dbo:casNumber "6988-21-2" ;
dbo:formula "C11H13NO4" ;
dbo:inchi "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)" ;
dbo:iupacName "[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "23421"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC=C1C2OCCO2" ;
dbp:inchikey "InChIKey=SDKQRNRRDYRQKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DOacb" ;
skos:prefLabel "dioxacarb"@nl .
csc:CHEMONTID_0000431
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000431 ;
skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PORWMNRCUJJQNO-BKFZFHPZSA-N , csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N , csc:WATWJIUSRGPENY-NJFSPNSNSA-N , csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N , csc:HZEBHPIOVYHPMT-UHFFFAOYSA-N , csc:WATWJIUSRGPENY-BKFZFHPZSA-N , csc:RQNWIZPPADIBDY-UHFFFAOYSA-N , csc:WATWJIUSRGPENY-AKLPVKDBSA-N , csc:HAYXDMNJJFVXCI-UHFFFAOYSA-N , csc:HZEBHPIOVYHPMT-OUBTZVSYSA-N , csc:RQNWIZPPADIBDY-BJUDXGSMSA-N , csc:WATWJIUSRGPENY-IGMARMGPSA-N , csc:PORWMNRCUJJQNO-RNFDNDRNSA-N , csc:WUOBERCRSABHOT-UHFFFAOYSA-N , csc:PORWMNRCUJJQNO-UHFFFAOYSA-N , csc:GNPVGFCGXDBREM-UHFFFAOYSA-N , csc:LULLIKNODDLMDQ-UHFFFAOYSA-N , csc:RQNWIZPPADIBDY-YPZZEJLDSA-N ;
skos:notation "CHEMONTID:0000431" ;
skos:prefLabel "Homogeneous metalloid compounds"@en .
csc:DIRFUJHNVNOBMY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19588 ;
dbo:casNumber "3766-81-2" , "12773-35-2" , "145846-59-9" ;
dbo:formula "C12H17NO2" ;
dbo:inchi "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)" ;
dbo:iupacName "(2-butan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "19588"^^xsd:int ;
dbo:smiles "CCC(C)C1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=DIRFUJHNVNOBMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbcb" ;
skos:prefLabel "fenobucarb"@nl .
csc:AIGRXSNSLVJMEA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16421 ;
dbo:casNumber "65580-79-2" , "2104-64-5" , "65580-80-5" ;
dbo:formula "C14H14NO4PS" ;
dbo:inchi "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3" ;
dbo:iupacName "ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "16421"^^xsd:int ;
dbo:smiles "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=AIGRXSNSLVJMEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EPN" ;
skos:prefLabel "ethyl-p-nitrofenylthiobenzeenfosfonaat"@nl .
csc:JHJOOSLFWRRSGU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9298 ;
dbo:casNumber "299-84-3" ;
dbo:formula "C8H8Cl3O3PS" ;
dbo:inchi "InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3" ;
dbo:iupacName "dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en ;
dbo:pubchem "9298"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JHJOOSLFWRRSGU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_299-84-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenClfs" ;
skos:prefLabel "fenchloorfos"@nl ;
vcs:vmmParameterId "1078"^^xsd:int .
csc:YEIHPPOCKIHUQJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9144 ;
dbo:casNumber "203-12-3" ;
dbo:formula "C18H10" ;
dbo:inchi "InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H" ;
dbo:iupacName "pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene"@en ;
dbo:pubchem "9144"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C3=C(C=C2)C=C5" ;
dbp:inchikey "InChIKey=YEIHPPOCKIHUQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BghiF" ;
skos:prefLabel "benzo(ghi)fluorantheen"@nl .
csc:CHEMONTID_0000346
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000346 ;
skos:definition "Organic compounds containing exactly two carboxylic acid groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:STVZJERGLQHEKB-UHFFFAOYSA-N , csc:DJKGDNKYTKCJKD-UHFFFAOYSA-N , csc:MUBZPKHOEPUJKR-UHFFFAOYSA-N , csc:PXNPSORLYYNBLA-UHFFFAOYSA-N , csc:HWSSEYVMGDIFMH-UHFFFAOYSA-N , csc:OMVSWZDEEGIJJI-UHFFFAOYSA-N , csc:UFHLMYOGRXOCSL-UHFFFAOYSA-N , csc:VZCYOOQTPOCHFL-OWOJBTEDSA-N ;
skos:notation "CHEMONTID:0000346" ;
skos:prefLabel "Dicarboxylic acids and derivatives"@en .
csc:CHEMONTID_0003322
skos:narrower csc:SASYSVUEVMOWPL-NXVVXOECSA-N , csc:DZKXJUASMGQEMA-UHFFFAOYSA-N .
csc:GKKDCARASOJPNG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61021 ;
dbo:casNumber "108-62-3" ;
dbo:formula "C8H16O4" ;
dbo:inchi "InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3" ;
dbo:iupacName "2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane"@en ;
dbo:pubchem "61021"^^xsd:int ;
dbo:smiles "CC1OC(OC(OC(O1)C)C)C" ;
dbp:inchikey "InChIKey=GKKDCARASOJPNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001656 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mAh" ;
skos:prefLabel "metaldehyde"@nl .
csc:RPNUMPOLZDHAAY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8111 ;
dbo:casNumber "111-40-0" , "54018-92-7" , "26915-78-6" , "94700-17-1" , "73989-30-7" , "8076-55-9" , "53303-76-7" , "98824-35-2" , "59135-90-9" ;
dbo:formula "C4H13N3" ;
dbo:inchi "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2" ;
dbo:iupacName "N-(2-aminoethyl)ethane-1,2-diamine"@en ;
dbo:pubchem "8111"^^xsd:int ;
dbo:smiles "C(CNCCN)N" ;
dbp:inchikey "InChIKey=RPNUMPOLZDHAAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yeTAe" ;
skos:prefLabel "diethyleentriamine"@nl .
csc:AGIMOOYNBDLMJV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:120228 ;
dbo:casNumber "377-73-1" ;
dbo:formula "C4HF7O3" ;
dbo:inchi "InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)" ;
dbo:iupacName "2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid"@en ;
dbo:pubchem "120228"^^xsd:int ;
dbo:smiles "C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=AGIMOOYNBDLMJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "perfluor-3-methoxypropaanzuur"@nl .
csc:YXISVHDWGVMPGJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:156477 ;
dbo:casNumber "74367-33-2" ;
dbo:formula "C12H24O3" ;
dbo:inchi "InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3" ;
dbo:iupacName "(1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate"@en ;
dbo:pubchem "156477"^^xsd:int ;
dbo:smiles "CC(C)C(=O)OC(C(C)CO)C(C)(C)C" ;
dbp:inchikey "InChIKey=YXISVHDWGVMPGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOx244TC1y3" ;
skos:prefLabel "1-hydroxy-2,4,4-trimethyl-3-pentanyl 2-methylpropanoaat"@nl .
csc:YSIIVKXVQXRKAN-LRAZUDBQSA-J
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9570322 ;
dbo:casNumber "16071-86-6" , "76199-83-2" , "39403-88-8" , "58601-87-9" , "10300-74-0" ;
dbo:formula "C31H18CuN6Na2O9S" ;
dbo:inchi "InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,35-24+,37-29-;;;" ;
dbo:iupacName "copper disodium 2-oxido-5-[4-[4-[(2Z)-2-[(5E)-5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxo-1-cyclohex-3-enylidene]hydrazinyl]phenyl]phenyl]diazenylbenzoate"@en ;
dbo:pubchem "9570322"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2]" ;
dbp:inchikey "InChIKey=YSIIVKXVQXRKAN-LRAZUDBQSA-J" ;
skos:altLabel "C.I. Direct Brown 95"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbn95" ;
skos:prefLabel "c.i. direct brown 95"@nl .
csc:GBHCABUWWQUMAJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8017 ;
dbo:casNumber "109-84-2" ;
dbo:formula "C2H8N2O" ;
dbo:inchi "InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2" ;
dbo:iupacName "2-hydrazinylethanol"@en ;
dbo:pubchem "8017"^^xsd:int ;
dbo:smiles "C(CO)NN" ;
dbp:inchikey "InChIKey=GBHCABUWWQUMAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxC2yhdzne" ;
skos:prefLabel "2-hydroxyethylhydrazine"@nl .
csc:JOLQKTGDSGKSKJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15287 ;
dbo:casNumber "1569-02-4" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "1-Ethoxypropan-2-ol"@en ;
dbo:pubchem "15287"^^xsd:int ;
dbo:smiles "CCOCC(C)O" ;
dbp:inchikey "InChIKey=JOLQKTGDSGKSKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2ox2C3ol" ;
skos:prefLabel "1-ethoxy-2-propanol"@nl .
csc:NQBXSWAWVZHKBZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8160 ;
dbo:casNumber "112-07-2" ;
dbo:formula "C8H16O3" ;
dbo:inchi "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3" ;
dbo:iupacName "2-Butoxyethyl acetate"@en ;
dbo:pubchem "8160"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)C" ;
dbp:inchikey "InChIKey=NQBXSWAWVZHKBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4oxC2yactt" ;
skos:prefLabel "2-butoxyethylacetaat"@nl .
csc:LXQXZNRPTYVCNG-BJUDXGSMSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:166958 ;
dbo:casNumber "13981-54-9" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am/i1-1" ;
dbo:iupacName "americium-242"@en ;
dbo:pubchem "166958"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "InChIKey=LXQXZNRPTYVCNG-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am242" ;
skos:prefLabel "americium 242"@nl .
csc:PWHULOQIROXLJO-OIOBTWANSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115131 ;
dbo:casNumber "14092-99-0" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn/i1-3" ;
dbo:iupacName "manganese-52"@en ;
dbo:pubchem "115131"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "InChIKey=PWHULOQIROXLJO-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn52" ;
skos:prefLabel "mangaan 52"@nl .
csc:CHEMONTID_0000410
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000410 ;
skos:definition "Derivatives of diazene(diimide), HN=NH, wherein both hydrogens are substituted by hydrocarbyl groups, e.g. PhN=NPh azobenzene or diphenyldiazene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OZAIFHULBGXAKX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000410" ;
skos:prefLabel "Azo compounds"@en .
csc:BHZWBQPHPLFZSV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62119 ;
dbo:casNumber "56634-95-8" ;
dbo:formula "C14H15Br2NO2" ;
dbo:inchi "InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3" ;
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) heptanoate"@en ;
dbo:pubchem "62119"^^xsd:int ;
dbo:smiles "CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br" ;
dbp:inchikey "InChIKey=BHZWBQPHPLFZSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrOxnHpnat" ;
skos:prefLabel "bromoxynil heptanoaat"@nl .
csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11855 ;
dbo:casNumber "608-93-5" ;
dbo:formula "C6HCl5" ;
dbo:inchi "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H" ;
dbo:iupacName "1,2,3,4,5-Pentachlorobenzene"@en ;
dbo:pubchem "11855"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CEOCDNVZRAIOQZ-UHFFFAOYSA-N" ;
skos:altLabel "pentachloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_608-93-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClBen" ;
skos:prefLabel "pentachloorben-zeen"@nl ;
vcs:vmmParameterId "756"^^xsd:int .
csc:MTHSVFCYNBDYFN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8117 ;
dbo:casNumber "4669-26-5" , "111-46-6" ;
dbo:formula "C4H10O3" ;
dbo:inchi "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2" ;
dbo:iupacName "2-(2-Hydroxyethoxy)ethanol"@en ;
dbo:pubchem "8117"^^xsd:int ;
dbo:smiles "C(COCCO)O" ;
dbp:inchikey "InChIKey=MTHSVFCYNBDYFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yegcl" ;
skos:prefLabel "diethyleenglycol"@nl .
csc:BZNDWPRGXNILMS-CLFYSBASSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6434101 ;
dbo:casNumber "31218-83-4" ;
dbo:formula "C10H20NO4PS" ;
dbo:inchi "InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7-" ;
dbo:iupacName "propan-2-yl (Z)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate"@en ;
dbo:pubchem "6434101"^^xsd:int ;
dbo:smiles "CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C" ;
dbp:inchikey "InChIKey=BZNDWPRGXNILMS-CLFYSBASSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proptfs" ;
skos:prefLabel "propetamfos"@nl .
csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15098 ;
dbo:casNumber "1461-25-2" ;
dbo:formula "C16H36Sn" ;
dbo:inchi "InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;" ;
dbo:iupacName "Tetrabutylstannane"@en ;
dbo:pubchem "15098"^^xsd:int ;
dbo:smiles "CCCC[Sn](CCCC)(CCCC)CCCC" ;
dbp:inchikey "InChIKey=AFCAKJKUYFLYFK-UHFFFAOYSA-N" ;
skos:altLabel "tetrabutyltin (tebt)"@nl ;
skos:broader csc:CHEMONTID_0004347 ;
skos:exactMatch wise:CAS_1461-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4ySn" ;
skos:prefLabel "tetrabutyltin"@nl ;
vcs:vmmParameterId "410"^^xsd:int .
csc:GFNANZIMVAIWHM-OBYCQNJPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31307 ;
dbo:casNumber "83474-03-7" , "124-94-7" ;
dbo:formula "C21H27FO6" ;
dbo:inchi "InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "31307"^^xsd:int ;
dbo:smiles "CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O" ;
dbp:inchikey "InChIKey=GFNANZIMVAIWHM-OBYCQNJPSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tacnln" ;
skos:prefLabel "triamcinolon"@nl .
csc:WUOBERCRSABHOT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'Sb'"@nl , "VLAR III (D3) 'antimoon'"@nl , "VLAR II bijl. 4.4.2 'antimoon en zijn verbindingen, uitgedrukt in Sb'"@nl , "VLAR II (D5) 'antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)' en 'antimoon en antimoonverbindingen, uitgedrukt als Sb'"@nl , "VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'"@nl ;
rdfs:seeAlso compound:23967 ;
dbo:casNumber "7440-36-0" , "73063-67-9" , "117011-47-9" ;
dbo:formula "Sb2" ;
dbo:inchi "InChI=1S/2Sb" ;
dbo:iupacName "stibanylidynestibane"@en ;
dbo:pubchem "23967"^^xsd:int ;
dbo:smiles "[Sb]#[Sb]" ;
dbp:inchikey "InChIKey=WUOBERCRSABHOT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "Antimoon (Sb)"@nl , "antimoon"@nl , "antimoon, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:definition "antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)"@nl ;
skos:exactMatch wise:CAS_7440-36-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb" ;
skos:prefLabel "antimoon (sb)"@nl ;
vcs:vmmParameterId "132"^^xsd:int , "1964"^^xsd:int , "133"^^xsd:int , "134"^^xsd:int .
csc:UDPGUMQDCGORJQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27982 ;
dbo:casNumber "73020-07-2" , "16672-87-0" , "82375-49-3" ;
dbo:formula "C2H6ClO3P" ;
dbo:inchi "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)" ;
dbo:iupacName "2-Chloroethylphosphonic acid"@en ;
dbo:pubchem "27982"^^xsd:int ;
dbo:smiles "C(CCl)P(=O)(O)O" ;
dbp:inchikey "InChIKey=UDPGUMQDCGORJQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001302 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfn" ;
skos:prefLabel "ethefon"@nl .
csc:ZCUFMDLYAMJYST-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14808 ;
dbo:casNumber "8006-33-5" , "1314-20-1" , "34321-99-8" ;
dbo:formula "O2Th" ;
dbo:inchi "InChI=1S/2O.Th" ;
dbo:iupacName "dioxothorium"@en ;
dbo:pubchem "14808"^^xsd:int ;
dbo:smiles "O=[Th]=O" ;
dbp:inchikey "InChIKey=ZCUFMDLYAMJYST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000522 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ThDO" ;
skos:prefLabel "thoriumdioxide"@nl .
csc:FGKJLKRYENPLQH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12587 ;
dbo:casNumber "1866-94-0" , "1331-16-4" , "646-07-1" , "38784-67-7" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)" ;
dbo:iupacName "4-Methylpentanoic acid"@en ;
dbo:pubchem "12587"^^xsd:int ;
dbo:smiles "CC(C)CCC(=O)O" ;
dbp:inchikey "InChIKey=FGKJLKRYENPLQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yvlrazr" ;
skos:prefLabel "4-methylvaleriaanzuur"@nl .
csc:GNHMRTZZNHZDDM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10963 ;
dbo:casNumber "542-76-7" , "2003-31-8" ;
dbo:formula "C3H4ClN" ;
dbo:inchi "InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2" ;
dbo:iupacName "['3-chloroprop-2-ynenitrile', '3-Chloropropanenitrile']"@en ;
dbo:pubchem "10963"^^xsd:int ;
dbo:smiles "C(CCl)C#N" ;
dbp:inchikey "InChIKey=GNHMRTZZNHZDDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClC3antl" ;
skos:prefLabel "3-chloorpropaannitril"@nl .
csc:CHEMONTID_0004443
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004443 ;
skos:definition "Metal alkyls, where the alkyl group is attached to a transition metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DBUXSCUEGJMZAE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004443" ;
skos:prefLabel "Transition metal alkyls"@en .
csc:CHEMONTID_0001467
skos:narrower csc:NVKAWKQGWWIWPM-ABEVXSGRSA-N , csc:AEMFNILZOJDQLW-QAGGRKNESA-N .
csc:MQOBSOSZFYZQOK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:64929 ;
dbo:casNumber "42017-89-0" ;
dbo:formula "C17H15ClO4" ;
dbo:inchi "InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)" ;
dbo:iupacName "2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid"@en ;
dbo:pubchem "64929"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=MQOBSOSZFYZQOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfbnzr" ;
skos:prefLabel "fenofibrinezuur"@nl .
csc:UETHPMGVZHBAFB-OWOJBTEDSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5282251 ;
dbo:casNumber "128-42-7" ;
dbo:formula "C14H10N2O10S2" ;
dbo:inchi "InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+" ;
dbo:iupacName "['5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid']"@en ;
dbo:pubchem "5282251"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O" ;
dbp:inchikey "InChIKey=UETHPMGVZHBAFB-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0004785 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DNO2sb22Ds" ;
skos:prefLabel "4,4'-dinitrostilbeen-2,2'-disulfonzuur"@nl .
csc:ZZVUWRFHKOJYTH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3100 ;
dbo:casNumber "58-73-1" ;
dbo:formula "C17H21NO" ;
dbo:inchi "InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3" ;
dbo:iupacName "2-[di(phenyl)methoxy]-N,N-dimethylethanamine"@en ;
dbo:pubchem "3100"^^xsd:int ;
dbo:smiles "CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=ZZVUWRFHKOJYTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfhdmne" ;
skos:prefLabel "difenhydramine"@nl .
csc:QYIYFLOTGYLRGG-GPCCPHFNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:51039 ;
dbo:casNumber "53994-73-3" ;
dbo:formula "C15H14ClN3O4S" ;
dbo:inchi "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "51039"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl" ;
dbp:inchikey "InChIKey=QYIYFLOTGYLRGG-GPCCPHFNSA-N" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefcr" ;
skos:prefLabel "cefaclor"@nl .
csc:LXMQMMSGERCRSU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91600 ;
dbo:casNumber "31251-03-3" ;
dbo:formula "C22H16F3N3" ;
dbo:inchi "InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H" ;
dbo:iupacName "1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "91600"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=CC=C3)C(F)(F)F)N4C=NC=N4" ;
dbp:inchikey "InChIKey=LXMQMMSGERCRSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fltmzl" ;
skos:prefLabel "fluotrimazol"@nl .
csc:MVAUDJDXZPBWOW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28647 ;
dbo:casNumber "17617-59-3" ;
dbo:formula "C17H15ClFN3O" ;
dbo:inchi "InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2" ;
dbo:iupacName "1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "28647"^^xsd:int ;
dbo:smiles "C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN" ;
dbp:inchikey "InChIKey=MVAUDJDXZPBWOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DdC2yfrzpm" ;
skos:prefLabel "didesethylflurazepam"@nl .
csc:KXUHSQYYJYAXGZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10870 ;
dbo:casNumber "538-93-2" , "28729-54-6" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" ;
dbo:iupacName "2-methylpropylbenzene"@en ;
dbo:pubchem "10870"^^xsd:int ;
dbo:smiles "CC(C)CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=KXUHSQYYJYAXGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yBen" ;
skos:prefLabel "iso-butylbenzeen"@nl .
csc:HDDSHPAODJUKPD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3334 ;
dbo:casNumber "43210-67-9" , "53571-02-1" ;
dbo:formula "C15H13N3O2S" ;
dbo:inchi "InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)" ;
dbo:iupacName "methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "3334"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=HDDSHPAODJUKPD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbdzl" ;
skos:prefLabel "fenbendazol"@nl .
csc:CHEMONTID_0002132
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002132 ;
skos:definition "Compounds containing a dithioacetal functional group with the general structure R2C(SR')2."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JWZXKXIUSSIAMR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002132" ;
skos:prefLabel "Dithioacetals"@en .
csc:BHFJBHMTEDLICO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9388 ;
dbo:casNumber "307-35-7" ;
dbo:formula "C8F18O2S" ;
dbo:inchi "InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride"@en ;
dbo:pubchem "9388"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=BHFJBHMTEDLICO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004050 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOSF" ;
skos:prefLabel "perfluorooctaansulfonylfluoride"@nl .
csc:QCWXUUIWCKQGHC-RNFDNDRNSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91573 ;
dbo:casNumber "13967-71-0" ;
dbo:formula "Zr" ;
dbo:inchi "InChI=1S/Zr/i1+4" ;
dbo:iupacName "zirconium-95"@en ;
dbo:pubchem "91573"^^xsd:int ;
dbo:smiles "[Zr]" ;
dbp:inchikey "InChIKey=QCWXUUIWCKQGHC-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zr95" ;
skos:prefLabel "zirconium 95"@nl .
csc:PXIPVTKHYLBLMZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33557 ;
dbo:casNumber "108592-00-3" , "12136-89-9" , "157302-08-4" , "20828-18-6" , "26628-22-8" ;
dbo:formula "N3Na" ;
dbo:inchi "InChI=1S/N3.Na/c1-3-2;/q-1;+1" ;
dbo:iupacName "SODIUM AZIDE"@en ;
dbo:pubchem "33557"^^xsd:int ;
dbo:smiles "[N-]=[N+]=[N-].[Na+]" ;
dbp:inchikey "InChIKey=PXIPVTKHYLBLMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naazde" ;
skos:prefLabel "natriumazide"@nl .
csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:36231 ;
dbo:casNumber "1336-36-3" , "32774-16-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "36231"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZHLICBPIXDOFFG-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 169"@nl , "3,3',4,4',5,5'-hexachloorbifenyl"@nl , "pcb 169"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_1336-36-3 , wise:CAS_32774-16-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB169" ;
skos:prefLabel "3,3',4,4',5,5'-hexachloorbifenyl (pcb169)"@nl ;
vcs:vmmParameterId "445"^^xsd:int , "758"^^xsd:int .
csc:QZSFJRIWRPJUOH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61286 ;
dbo:casNumber "1928-43-4" , "25168-26-7" ;
dbo:formula "C16H22Cl2O3" ;
dbo:inchi "InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "61286"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=QZSFJRIWRPJUOH-UHFFFAOYSA-N" ;
skos:altLabel "2,4-d 2-ethylhexylester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D2C2yC6yEs" ;
skos:prefLabel "2,4-D 2-ethylhexylester"@nl .
csc:CHEMONTID_0000298
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000298 ;
skos:definition "Long chain aldehydes with a chain of at least 12 carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZENZJGDPWWLORF-MDZDMXLPSA-N , csc:BGEHHAVMRVXCGR-UHFFFAOYSA-N , csc:VMUNAKQXJLHODT-VAWYXSNFSA-N , csc:FWWQKRXKHIRPJY-UHFFFAOYSA-N , csc:XGQJZNCFDLXSIJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000298" ;
skos:prefLabel "Fatty aldehydes"@en .
csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11067463 ;
dbo:casNumber "133855-98-8" ;
dbo:formula "C17H13ClFN3O" ;
dbo:inchi "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1" ;
dbo:iupacName "1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "11067463"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl" ;
dbp:inchikey "InChIKey=ZMYFCFLJBGAQRS-DLBZAZTESA-N" ;
skos:altLabel "epoxiconazool"@nl ;
skos:broader csc:CHEMONTID_0000253 ;
skos:exactMatch wise:CAS_133855-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epxcnzl" ;
skos:prefLabel "epoxiconazole"@nl ;
vcs:vmmParameterId "1317"^^xsd:int .
csc:TUZYXOIXSAXUGO-PZAWKZKUSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:54687 ;
dbo:casNumber "81093-37-0" ;
dbo:formula "C23H36O7" ;
dbo:inchi "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1" ;
dbo:iupacName "(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid"@en ;
dbo:pubchem "54687"^^xsd:int ;
dbo:smiles "CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O" ;
dbp:inchikey "InChIKey=TUZYXOIXSAXUGO-PZAWKZKUSA-N" ;
skos:broader csc:CHEMONTID_0000299 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pravstne" ;
skos:prefLabel "pravastatine"@nl .
csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6497 ;
dbo:casNumber "98478-67-2" , "62086-97-9" , "139443-72-4" , "77-78-1" ;
dbo:formula "C2H6O4S" ;
dbo:inchi "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3" ;
dbo:iupacName "Dimethyl sulfate"@en ;
dbo:pubchem "6497"^^xsd:int ;
dbo:smiles "COS(=O)(=O)OC" ;
dbp:inchikey "InChIKey=VAYGXNSJCAHWJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ySO4" ;
skos:prefLabel "dimethylsulfaat"@nl .
csc:HVYWMOMLDIMFJA-DPAQBDIFSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5997 ;
dbo:casNumber "22243-67-0" , "209124-38-9" , "218965-24-3" , "80356-14-5" , "57-88-5" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "5997"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=HVYWMOMLDIMFJA-DPAQBDIFSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cholEsrol" ;
skos:prefLabel "cholesterol"@nl .
csc:PGVOXXHNGYYHHB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16979 ;
dbo:casNumber "2400-00-2" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3" ;
dbo:iupacName "dodecan-3-ylbenzene"@en ;
dbo:pubchem "16979"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(CC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=PGVOXXHNGYYHHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yC10yBen" ;
skos:prefLabel "(1-ethyldecyl)-benzeen"@nl .
csc:DQKWXTIYGWPGOO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15533 ;
dbo:casNumber "33964-24-8" , "86702-80-9" , "1689-99-2" ;
dbo:formula "C15H17Br2NO2" ;
dbo:inchi "InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3" ;
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) octanoate"@en ;
dbo:pubchem "15533"^^xsd:int ;
dbo:smiles "CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br" ;
dbp:inchikey "InChIKey=DQKWXTIYGWPGOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrOxnOcnat" ;
skos:prefLabel "broomoxynil-octanoaat"@nl .
csc:BBBUAWSVILPJLL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17162 ;
dbo:casNumber "2461-15-6" , "145928-91-2" , "98913-53-2" , "102640-36-8" ;
dbo:formula "C11H22O2" ;
dbo:inchi "InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "2-(2-ethylhexoxymethyl)oxirane"@en ;
dbo:pubchem "17162"^^xsd:int ;
dbo:smiles "CCCCC(CC)COCC1CO1" ;
dbp:inchikey "InChIKey=BBBUAWSVILPJLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6ygcdEt" ;
skos:prefLabel "2-ethylhexylglycidylether"@nl .
csc:XJENLUNLXRJLEZ-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62500 ;
dbo:casNumber "12777-86-5" , "2609-88-3" , "184827-20-1" , "104298-69-3" , "204996-41-8" , "74871-35-5" , "39470-83-2" , "61261-16-3" , "3520-42-1" , "192230-72-1" , "103947-10-0" ;
dbo:formula "C29H33N2NaO7S2" ;
dbo:inchi "InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1" ;
dbo:iupacName "sodium 4-(3-diethylamino-6-diethylazaniumylidene-2,7-dimethylxanthen-9-yl)benzene-1,3-disulfonate"@en ;
dbo:pubchem "62500"^^xsd:int ;
dbo:smiles "CCN(CC)C1=CC2=C(C=C1C)C(=C3C=C(C(=[N+](CC)CC)C=C3O2)C)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=XJENLUNLXRJLEZ-UHFFFAOYSA-M" ;
skos:altLabel "c.i. acid red 52"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ciard52" ;
skos:prefLabel "C.I. Acid Red 52"@nl .
csc:CWFOCCVIPCEQCK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91778 ;
dbo:casNumber "122453-73-0" ;
dbo:formula "C15H11BrClF3N2O" ;
dbo:inchi "InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3" ;
dbo:iupacName "4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile"@en ;
dbo:pubchem "91778"^^xsd:int ;
dbo:smiles "CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=CWFOCCVIPCEQCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfapr" ;
skos:prefLabel "chloorfenapyr"@nl .
csc:KQTVWCSONPJJPE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17432 ;
dbo:casNumber "2593-15-9" ;
dbo:formula "C5H5Cl3N2OS" ;
dbo:inchi "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3" ;
dbo:iupacName "5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole"@en ;
dbo:pubchem "17432"^^xsd:int ;
dbo:smiles "CCOC1=NC(=NS1)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=KQTVWCSONPJJPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000128 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "eTDazl" ;
skos:prefLabel "etridiazol"@nl .
csc:NRZWYNLTFLDQQX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6643 ;
dbo:casNumber "80-46-6" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3" ;
dbo:iupacName "4-(2-methylbutan-2-yl)phenol"@en ;
dbo:pubchem "6643"^^xsd:int ;
dbo:smiles "CCC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=NRZWYNLTFLDQQX-UHFFFAOYSA-N" ;
skos:altLabel "4-tert-pentylfenol"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pttamFol" ;
skos:prefLabel "para-(tertiair-amyl)fenol"@nl .
csc:CHEMONTID_0000362
skos:narrower csc:BTGRAWJCKBQKAO-UHFFFAOYSA-N , csc:DHVLDKHFGIVEIP-UHFFFAOYSA-N , csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N , csc:NDSBDLSWTGLNQA-UHFFFAOYSA-N , csc:WEVYAHXRMPXWCK-UHFFFAOYSA-N , csc:RENMDAKOXSCIGH-UHFFFAOYSA-N , csc:ZVQXQPNJHRNGID-UHFFFAOYSA-N , csc:GYCMBHHDWRMZGG-UHFFFAOYSA-N , csc:VTHRQKSLPFJQHN-UHFFFAOYSA-N , csc:LELOWRISYMNNSU-UHFFFAOYSA-N , csc:GNHMRTZZNHZDDM-UHFFFAOYSA-N , csc:CUONGYYJJVDODC-UHFFFAOYSA-N .
csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61437 ;
dbo:casNumber "10025-85-1" ;
dbo:formula "Cl3N" ;
dbo:inchi "InChI=1S/Cl3N/c1-4(2)3" ;
dbo:iupacName "trichloroamine"@en ;
dbo:pubchem "61437"^^xsd:int ;
dbo:smiles "N(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=QEHKBHWEUPXBCW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VII_002 ;
skos:altLabel "stikstoftrichloride"@nl ;
skos:broader csc:CHEMONTID_0000549 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NTCl" ;
skos:prefLabel "trichlooramine"@nl .
csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:7947 ;
dbo:casNumber "108-67-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3" ;
dbo:iupacName "1,3,5-Trimethylbenzene"@en ;
dbo:pubchem "7947"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)C)C" ;
dbp:inchikey "InChIKey=AUHZEENZYGFFBQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_108-67-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TC1yBen" ;
skos:prefLabel "1,3,5-trimethylbenzeen"@nl ;
vcs:vmmParameterId "206"^^xsd:int .
csc:CHEMONTID_0001987
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001987 ;
skos:definition "Organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KLDXJTOLSGUMSJ-JGWLITMVSA-N ;
skos:notation "CHEMONTID:0001987" ;
skos:prefLabel "Isosorbides"@en .
csc:HYJSGOXICXYZGS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19662 ;
dbo:casNumber "3813-05-6" ;
dbo:formula "C9H6ClNO3S" ;
dbo:inchi "InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)" ;
dbo:iupacName "2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid"@en ;
dbo:pubchem "19662"^^xsd:int ;
dbo:smiles "C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O" ;
dbp:inchikey "InChIKey=HYJSGOXICXYZGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:exactMatch wise:CAS_3813-05-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzln" ;
skos:prefLabel "benazolin"@nl ;
vcs:vmmParameterId "398"^^xsd:int .
csc:AAOVKJBEBIDNHE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3016 ;
dbo:casNumber "53320-84-6" , "439-14-5" , "11100-37-1" ;
dbo:formula "C16H13ClN2O" ;
dbo:inchi "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3" ;
dbo:iupacName "7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "3016"^^xsd:int ;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N" ;
skos:altLabel "valium"@nl ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valum" ;
skos:prefLabel "diazepam"@nl .
csc:NRHFWOJROOQKBK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6327657 ;
dbo:casNumber "76-87-9" ;
dbo:formula "C18H17OSn" ;
dbo:inchi "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;" ;
dbo:iupacName "tri(phenyl)tin hydrate"@en ;
dbo:pubchem "6327657"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O" ;
dbp:inchikey "InChIKey=NRHFWOJROOQKBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "trifenyltinhydroxide"@nl .
csc:CHEMONTID_0001510
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001510 ;
skos:definition "Lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001510" ;
skos:prefLabel "Lignan lactones"@en .
csc:DCMURXAZTZQAFB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37803 ;
dbo:casNumber "37680-65-2" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H" ;
dbo:iupacName "1,4-dichloro-2-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "37803"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=DCMURXAZTZQAFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB18" ;
skos:prefLabel "2,2',5-trichloorbifenyl"@nl .
csc:WIHMGGWNMISDNJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6573 ;
dbo:casNumber "78-99-9" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3" ;
dbo:iupacName "1,1-DICHLOROPROPANE"@en ;
dbo:pubchem "6573"^^xsd:int ;
dbo:smiles "CCC(Cl)Cl" ;
dbp:inchikey "InChIKey=WIHMGGWNMISDNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC3a" ;
skos:prefLabel "1,1-dichloorpropaan"@nl .
csc:CHEMONTID_0001908
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001908 ;
skos:definition "Organic compounds containing a benzene fused to a quinoline ring system."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001908" ;
skos:prefLabel "Benzoquinolines"@en .
csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:300 ;
dbo:casNumber "79-11-8" ;
dbo:formula "C2H3ClO2" ;
dbo:inchi "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)" ;
dbo:iupacName "2-chloroacetic acid"@en ;
dbo:pubchem "300"^^xsd:int ;
dbo:smiles "C(C(=O)O)Cl" ;
dbp:inchikey "InChIKey=FOCAUTSVDIKZOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:exactMatch wise:CAS_79-11-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClHAc" ;
skos:prefLabel "chloorazijnzuur"@nl ;
vcs:vmmParameterId "372"^^xsd:int .
csc:QBJCDRCOQAVMJK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
dbo:casNumber "683-18-1" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/2C4H9.2Cl.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;" ;
dbo:iupacName "dibutyl-dichlorostannane"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=QBJCDRCOQAVMJK-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dibutyltindichloride"@nl .
csc:VLHAGZNBWKUMRW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14040 ;
dbo:casNumber "1068-87-7" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3" ;
dbo:iupacName "3-Ethyl-2,4-dimethylpentane"@en ;
dbo:pubchem "14040"^^xsd:int ;
dbo:smiles "CCC(C(C)C)C(C)C" ;
dbp:inchikey "InChIKey=VLHAGZNBWKUMRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2y24DC1yC5" ;
skos:prefLabel "3-ethyl-2,4-dimethylpentaan"@nl .
csc:AVQQQNCBBIEMEU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12437 ;
dbo:casNumber "632-22-4" ;
dbo:formula "C5H12N2O" ;
dbo:inchi "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3" ;
dbo:iupacName "1,1,3,3-Tetramethylurea"@en ;
dbo:pubchem "12437"^^xsd:int ;
dbo:smiles "CN(C)C(=O)N(C)C" ;
dbp:inchikey "InChIKey=AVQQQNCBBIEMEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yurum" ;
skos:prefLabel "tetramethylureum"@nl .
csc:XKRFYHLGVUSROY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23968 ;
dbo:casNumber "24494-51-7" , "13473-05-7" , "75714-55-5" , "137736-93-7" , "7440-37-1" , "50938-66-4" ;
dbo:formula "Ar" ;
dbo:inchi "InChI=1S/Ar" ;
dbo:iupacName "ARGON"@en ;
dbo:pubchem "23968"^^xsd:int ;
dbo:smiles "[Ar]" ;
dbp:inchikey "InChIKey=XKRFYHLGVUSROY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ar" ;
skos:prefLabel "argon"@nl .
csc:XDTMQSROBMDMFD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8078 ;
dbo:casNumber "68411-76-7" , "25012-93-5" , "110-82-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2" ;
dbo:iupacName "Cyclohexane"@en ;
dbo:pubchem "8078"^^xsd:int ;
dbo:smiles "C1CCCCC1" ;
dbp:inchikey "InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6a" ;
skos:prefLabel "cyclohexaan"@nl .
csc:UEMBNLWZFIWQFL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11459 ;
dbo:casNumber "586-11-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H" ;
dbo:iupacName "3,5-DINITROPHENOL"@en ;
dbo:pubchem "11459"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UEMBNLWZFIWQFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2Fol" ;
skos:prefLabel "3,5-dinitrofenol"@nl .
csc:DBTMGCOVALSLOR-VPNXCSTESA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:439306 ;
dbo:casNumber "9008-22-4" ;
dbo:formula "C18H32O16" ;
dbo:inchi "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en ;
dbo:pubchem "439306"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O" ;
dbp:inchikey "InChIKey=DBTMGCOVALSLOR-VPNXCSTESA-N" ;
skos:broader csc:CHEMONTID_0000198 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lamnrn" ;
skos:prefLabel "laminaran"@nl .
csc:VHVOLFRBFDOUSH-NSCUHMNNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:637796 ;
dbo:casNumber "4043-71-4" , "120-58-1" , "191281-03-5" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+" ;
dbo:iupacName "['5-Prop-1-enyl-1,3-benzodioxole', '5-[(E)-prop-1-enyl]-1,3-benzodioxole']"@en ;
dbo:pubchem "637796"^^xsd:int ;
dbo:smiles "CC=CC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "InChIKey=VHVOLFRBFDOUSH-NSCUHMNNSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "isfl" ;
skos:prefLabel "isosafrol"@nl .
csc:WTEOIRVLGSZEPR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6356 ;
dbo:casNumber "109704-87-2" , "15875-25-9" , "372-85-0" , "20654-88-0" , "155123-44-7" , "7637-07-2" ;
dbo:formula "BF3" ;
dbo:inchi "InChI=1S/BF3/c2-1(3)4" ;
dbo:iupacName "Trifluoroborane"@en ;
dbo:pubchem "6356"^^xsd:int ;
dbo:smiles "B(F)(F)F" ;
dbp:inchikey "InChIKey=WTEOIRVLGSZEPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000584 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BTF" ;
skos:prefLabel "boortrifluoride"@nl .
csc:BTOCFTAWZMMTNB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:63077 ;
dbo:casNumber "41411-63-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "63077"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BTOCFTAWZMMTNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB166" ;
skos:prefLabel "2,3,4,4',5,6-hexachloorbifenyl"@nl .
csc:PROQIPRRNZUXQM-ZXXIGWHRSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5756 ;
dbo:casNumber "50-27-1" ;
dbo:formula "C18H24O3" ;
dbo:inchi "InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol"@en ;
dbo:pubchem "5756"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=PROQIPRRNZUXQM-ZXXIGWHRSA-N" ;
skos:altLabel "oestriol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "esTol" ;
skos:prefLabel "estriol"@nl .
csc:VJAWBEFMCIINFU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:43704 ;
dbo:casNumber "10552-74-6" ;
dbo:formula "C14H17NO6" ;
dbo:inchi "InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3" ;
dbo:iupacName "dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate"@en ;
dbo:pubchem "43704"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C" ;
dbp:inchikey "InChIKey=VJAWBEFMCIINFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nittliC3y" ;
skos:prefLabel "nitrothal-isopropyl"@nl .
csc:BULVZWIRKLYCBC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4790 ;
dbo:casNumber "298-02-2" ;
dbo:formula "C7H17O2PS3" ;
dbo:inchi "InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3" ;
dbo:iupacName "diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "4790"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSCC" ;
dbp:inchikey "InChIKey=BULVZWIRKLYCBC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fort" ;
skos:prefLabel "foraat"@nl .
csc:LBNXAWYDQUGHGX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14115 ;
dbo:casNumber "1078-71-3" ;
dbo:formula "C13H20" ;
dbo:inchi "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3" ;
dbo:iupacName "Heptylbenzene"@en ;
dbo:pubchem "14115"^^xsd:int ;
dbo:smiles "CCCCCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=LBNXAWYDQUGHGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7yBen" ;
skos:prefLabel "heptylbenzeen"@nl .
csc:KIEDNEWSYUYDSN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54778 ;
dbo:casNumber "89493-06-1" , "81777-89-1" ;
dbo:formula "C12H14ClNO2" ;
dbo:inchi "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3" ;
dbo:iupacName "2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one"@en ;
dbo:pubchem "54778"^^xsd:int ;
dbo:smiles "CC1(CON(C1=O)CC2=CC=CC=C2Cl)C" ;
dbp:inchikey "InChIKey=KIEDNEWSYUYDSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clomzn" ;
skos:prefLabel "clomazon"@nl .
csc:BAZVSMNPJJMILC-STQMWFEESA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:92416 ;
dbo:casNumber "89482-17-7" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1" ;
dbo:iupacName "(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "92416"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=BAZVSMNPJJMILC-STQMWFEESA-N" ;
skos:altLabel "triadimenol-a"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TadmnlA" ;
skos:prefLabel "triadimenol-A"@nl .
csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl , "VLAR III (D3) 'N2O'"@nl ;
rdfs:seeAlso compound:948 ;
dbo:casNumber "130835-71-1" , "175876-44-5" , "147527-07-9" , "10024-97-2" , "126386-65-0" , "129451-49-6" ;
dbo:formula "N2O" ;
dbo:inchi "InChI=1S/N2O/c1-2-3" ;
dbo:iupacName "nitrous oxide"@en ;
dbo:pubchem "948"^^xsd:int ;
dbo:smiles "[N-]=[N+]=O" ;
dbp:inchikey "InChIKey=GQPLMRYTRLFLPF-UHFFFAOYSA-N" ;
skos:altLabel "distikstofoxide (N2O)"@nl , "distikstofoxide (lachgas)"@nl ;
skos:broader csc:CHEMONTID_0000553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2O" ;
skos:prefLabel "distikstofoxide (n2o)"@nl .
csc:LIUBOLYWYDGCSJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:142558 ;
dbo:casNumber "41902-42-5" ;
dbo:formula "C13H28O" ;
dbo:inchi "InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3" ;
dbo:iupacName "3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol"@en ;
dbo:pubchem "142558"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O" ;
dbp:inchikey "InChIKey=LIUBOLYWYDGCSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TttC4yC1ol" ;
skos:prefLabel "tri-tert-butylmethanol"@nl .
csc:LDVVMCZRFWMZSG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8606 ;
dbo:casNumber "37335-15-2" , "120528-25-8" , "1321-42-2" , "133-06-2" ;
dbo:formula "C9H8Cl3NO2S" ;
dbo:inchi "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2" ;
dbo:iupacName "2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "8606"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=LDVVMCZRFWMZSG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:exactMatch wise:CAS_133-06-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captn" ;
skos:prefLabel "captan"@nl ;
vcs:vmmParameterId "1482"^^xsd:int .
csc:MOZDKDIOPSPTBH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7180 ;
dbo:casNumber "94-18-8" ;
dbo:formula "C14H12O3" ;
dbo:inchi "InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2" ;
dbo:iupacName "Phenylmethyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7180"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O" ;
dbp:inchikey "InChIKey=MOZDKDIOPSPTBH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benz4HOxbzat" ;
skos:prefLabel "benzyl 4-hydroxybenzoaat"@nl .
csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:134472 ;
dbo:casNumber "3984-14-3" ;
dbo:formula "C2H8N2O2S" ;
dbo:inchi "InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)" ;
dbo:iupacName "(methyl-sulfamoylamino)methane"@en ;
dbo:pubchem "134472"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)N" ;
dbp:inchikey "InChIKey=QMHAHUAQAJVBIW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001183 ;
skos:exactMatch wise:CAS_3984-14-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ysAd" ;
skos:prefLabel "dimethylsulfamide"@nl ;
vcs:vmmParameterId "1539"^^xsd:int .
csc:AQXXZDYPVDOQEE-MXDQRGINSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281033 ;
dbo:casNumber "122157-48-6" , "22204-24-6" ;
dbo:formula "C34H30N2O6S" ;
dbo:inchi "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+" ;
dbo:iupacName "['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine']"@en ;
dbo:pubchem "5281033"^^xsd:int ;
dbo:smiles "CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O" ;
dbp:inchikey "InChIKey=AQXXZDYPVDOQEE-MXDQRGINSA-N" ;
skos:broader csc:CHEMONTID_0002421 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtpmat" ;
skos:prefLabel "pyrantel pamoaat"@nl .
csc:REEQLXCGVXDJSQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41428 ;
dbo:casNumber "69653-72-1" , "55335-06-3" ;
dbo:formula "C7H4Cl3NO3" ;
dbo:inchi "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)" ;
dbo:iupacName "2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "41428"^^xsd:int ;
dbo:smiles "C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl" ;
dbp:inchikey "InChIKey=REEQLXCGVXDJSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:exactMatch wise:CAS_55335-06-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcpr" ;
skos:prefLabel "triclopyr"@nl ;
vcs:vmmParameterId "1519"^^xsd:int .
csc:PXTADLCAVHRXCA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:34308 ;
dbo:casNumber "28680-45-7" ;
dbo:formula "C7H3Cl7" ;
dbo:inchi "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H" ;
dbo:iupacName "1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "34308"^^xsd:int ;
dbo:smiles "C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=PXTADLCAVHRXCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HpClnbnn" ;
skos:prefLabel "heptachloornorborneen"@nl .
csc:DQVGVYRSVYCJRR-HTLTWAQSSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5351507 ;
dbo:casNumber "603-17-8" ;
dbo:formula "C55H74N4O5" ;
dbo:inchi "InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?" ;
dbo:iupacName "methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate"@en ;
dbo:pubchem "5351507"^^xsd:int ;
dbo:smiles "CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C" ;
dbp:inchikey "InChIKey=DQVGVYRSVYCJRR-HTLTWAQSSA-N" ;
skos:broader csc:CHEMONTID_0000716 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "feofytine a"@nl .
csc:DWFZBUWUXWZWKD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91754 ;
dbo:casNumber "96489-71-3" ;
dbo:formula "C19H25ClN2OS" ;
dbo:inchi "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3" ;
dbo:iupacName "2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one"@en ;
dbo:pubchem "91754"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl" ;
dbp:inchikey "InChIKey=DWFZBUWUXWZWKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdbn" ;
skos:prefLabel "pyridaben"@nl .
csc:CHEMONTID_0000320
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000320 ;
skos:definition "Compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PRGQOPPDPVELEG-KBPBESRZSA-N , csc:LCGTWRLJTMHIQZ-UHFFFAOYSA-N , csc:CTRLABGOLIVAIY-UHFFFAOYSA-N , csc:PRGQOPPDPVELEG-UHFFFAOYSA-N , csc:GDLIGKIOYRNHDA-UHFFFAOYSA-N , csc:YNPFMWCWRVTGKJ-UHFFFAOYSA-N , csc:VPZIYMMSJFWLSP-UHFFFAOYSA-N , csc:QQCFBZCATDIWTH-UHFFFAOYSA-N , csc:ZRWWEEVEIOGMMT-UHFFFAOYSA-N , csc:FFGPTBGBLSHEPO-UHFFFAOYSA-N , csc:PHNLCHMJDSSPDQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000320" ;
skos:prefLabel "Dibenzazepines"@en .
csc:CHEMONTID_0004289
skos:narrower csc:MRMOZBOQVYRSEM-UHFFFAOYSA-N .
csc:GLZPCOQZEFWAFX-JXMROGBWSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:637566 ;
dbo:casNumber "624-15-7" , "68311-14-8" , "8007-13-4" , "106-24-1" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" ;
dbo:iupacName "['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol']"@en ;
dbo:pubchem "637566"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCO)C)C" ;
dbp:inchikey "InChIKey=GLZPCOQZEFWAFX-JXMROGBWSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gernl" ;
skos:prefLabel "geraniol"@nl .
csc:MWFMGBPGAXYFAR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6406 ;
dbo:casNumber "75-86-5" , "59182-86-4" ;
dbo:formula "C4H7NO" ;
dbo:inchi "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3" ;
dbo:iupacName "2-Hydroxy-2-methylpropanenitrile"@en ;
dbo:pubchem "6406"^^xsd:int ;
dbo:smiles "CC(C)(C#N)O" ;
dbp:inchikey "InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yltntl" ;
skos:prefLabel "2-methyllactonitril"@nl .
csc:HWWYDZCSSYKIAD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11565 ;
dbo:casNumber "591-22-0" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3" ;
dbo:iupacName "3,5-Dimethylpyridine"@en ;
dbo:pubchem "11565"^^xsd:int ;
dbo:smiles "CC1=CC(=CN=C1)C" ;
dbp:inchikey "InChIKey=HWWYDZCSSYKIAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yprdne" ;
skos:prefLabel "3,5-dimethylpyridine"@nl .
csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31272 ;
dbo:casNumber "123-86-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3" ;
dbo:iupacName "Butyl acetate"@en ;
dbo:pubchem "31272"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C" ;
dbp:inchikey "InChIKey=DKPFZGUDAPQIHT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_011 , co:LUC_IV_004 , co:LUC_IV_000 ;
skos:altLabel "butylacetaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yactt" ;
skos:prefLabel "n-butylacetaat"@nl .
csc:LUQMWGMGWJEGAT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36027 ;
dbo:casNumber "31972-43-7" , "124793-11-9" ;
dbo:formula "C13H22NO4PS" ;
dbo:inchi "InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)" ;
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine"@en ;
dbo:pubchem "36027"^^xsd:int ;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C" ;
dbp:inchikey "InChIKey=LUQMWGMGWJEGAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004632 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenamfSO" ;
skos:prefLabel "fenamifos-sulfoxide"@nl .
csc:CHEMONTID_0003688
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003688 ;
skos:definition "Organic compounds having the divalent diazo group, =N+=N-, attached to a carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YXHKONLOYHBTNS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003688" ;
skos:prefLabel "Diazo compounds"@en .
csc:CRPUJAZIXJMDBK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6616 ;
dbo:casNumber "5794-04-7" , "79-92-5" , "565-00-4" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3" ;
dbo:iupacName "6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptane"@en ;
dbo:pubchem "6616"^^xsd:int ;
dbo:smiles "CC1(C2CCC(C2)C1=C)C" ;
dbp:inchikey "InChIKey=CRPUJAZIXJMDBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campn" ;
skos:prefLabel "campheen"@nl .
csc:LMXFTMYMHGYJEI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:556998 ;
dbo:casNumber "42822-86-6" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3" ;
dbo:iupacName "2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol"@en ;
dbo:pubchem "556998"^^xsd:int ;
dbo:smiles "CC1CCC(C(C1)O)C(C)(C)O" ;
dbp:inchikey "InChIKey=LMXFTMYMHGYJEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "p-ment38Dol" ;
skos:prefLabel "p-menthaan-3,8-diol"@nl .
csc:UUIVKBHZENILKB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25059 ;
dbo:casNumber "10222-01-2" ;
dbo:formula "C3H2Br2N2O" ;
dbo:inchi "InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)" ;
dbo:iupacName "2,2-DIBROMO-2-CYANOACETAMIDE"@en ;
dbo:pubchem "25059"^^xsd:int ;
dbo:smiles "C(#N)C(C(=O)N)(Br)Br" ;
dbp:inchikey "InChIKey=UUIVKBHZENILKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001662 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DBr2caacam" ;
skos:prefLabel "2,2-dibroom-2-cyaanaceetamide"@nl .
csc:VJTAZCKMHINUKO-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31273 ;
dbo:casNumber "123-88-6" ;
dbo:formula "C3H7ClHgO" ;
dbo:inchi "InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1" ;
dbo:iupacName "2-Methoxyethylmercury chloride"@en ;
dbo:pubchem "31273"^^xsd:int ;
dbo:smiles "COCC[Hg+].[Cl-]" ;
dbp:inchikey "InChIKey=VJTAZCKMHINUKO-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxC2yHgCl" ;
skos:prefLabel "methoxyethylkwikchloride"@nl .
csc:JYWIYHUXVMAGLG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16779 ;
dbo:casNumber "2277-92-1" ;
dbo:formula "C13H6Cl5NO3" ;
dbo:inchi "InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)" ;
dbo:iupacName "2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide"@en ;
dbo:pubchem "16779"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=JYWIYHUXVMAGLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxcznde" ;
skos:prefLabel "oxyclozanide"@nl .
csc:JCTXKRPTIMZBJT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8946 ;
dbo:casNumber "144-19-4" , "127894-68-2" ;
dbo:formula "C8H18O2" ;
dbo:inchi "InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3" ;
dbo:iupacName "2,2,4-Trimethylpentane-1,3-diol"@en ;
dbo:pubchem "8946"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)CO)O" ;
dbp:inchikey "InChIKey=JCTXKRPTIMZBJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1y13C5a" ;
skos:prefLabel "2,2,4-trimethyl-1,3-pentaandiol"@nl .
csc:OWEGWHBOCFMBLP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37907 ;
dbo:casNumber "38083-17-9" ;
dbo:formula "C15H17ClN2O2" ;
dbo:inchi "InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one"@en ;
dbo:pubchem "37907"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=OWEGWHBOCFMBLP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "climbzle" ;
skos:prefLabel "climbazole"@nl .
csc:DVOODWOZJVJKQR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:94498 ;
dbo:casNumber "39807-15-3" ;
dbo:formula "C15H14Cl2N2O3" ;
dbo:inchi "InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3" ;
dbo:iupacName "5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one"@en ;
dbo:pubchem "94498"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C" ;
dbp:inchikey "InChIKey=DVOODWOZJVJKQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxdagl" ;
skos:prefLabel "oxadiargyl"@nl .
csc:CHEMONTID_0003752
skos:narrower csc:YBUIAJZFOGJGLJ-UHFFFAOYSA-N .
csc:BBLDTXFLAHKYFJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:27010 ;
dbo:casNumber "15045-43-9" ;
dbo:formula "C8H16O" ;
dbo:inchi "InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3" ;
dbo:iupacName "2,2,5,5-tetramethyloxolane"@en ;
dbo:pubchem "27010"^^xsd:int ;
dbo:smiles "CC1(CCC(O1)(C)C)C" ;
dbp:inchikey "InChIKey=BBLDTXFLAHKYFJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2255T4C4yT4H" ;
skos:prefLabel "2,2,5,5,-tetramethyl-tetrahydrofuran"@nl .
csc:IAOZJIPTCAWIRG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2242 ;
dbo:casNumber "7421-84-3" , "22839-47-0" , "53906-69-7" ;
dbo:formula "C14H18N2O5" ;
dbo:inchi "InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)" ;
dbo:iupacName "3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid"@en ;
dbo:pubchem "2242"^^xsd:int ;
dbo:smiles "COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N" ;
dbp:inchikey "InChIKey=IAOZJIPTCAWIRG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000348 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "asptm" ;
skos:prefLabel "aspartaam"@nl .
csc:NIWWFAAXEMMFMS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23979 ;
dbo:casNumber "7440-51-9" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm" ;
dbo:iupacName "CURIUM"@en ;
dbo:pubchem "23979"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "InChIKey=NIWWFAAXEMMFMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm" ;
skos:prefLabel "curium"@nl .
csc:CHEMONTID_0000293
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000293 ;
skos:definition "Organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000293" ;
skos:prefLabel "Benzazepines"@en .
csc:DPNGWXJMIILTBS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:442649 ;
dbo:casNumber "532-12-7" ;
dbo:formula "C9H10N2" ;
dbo:inchi "InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2" ;
dbo:iupacName "3-(4,5-dihydro-3H-pyrrol-2-yl)pyridine"@en ;
dbo:pubchem "442649"^^xsd:int ;
dbo:smiles "C1CC(=NC1)C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=DPNGWXJMIILTBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "myomne" ;
skos:prefLabel "myosmine"@nl .
csc:CHEMONTID_0002042
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002042 ;
skos:definition "Polycyclic aromatic compounds containing a terphenyl skeleton, which consists of a benzene ring substituted with two phenyl groups. Isomers of terphenyl include m-terphenyls (1,3-diphenylbenzenes), o-terphenyls (1,2-diphenylbenzenes), p-terphenyls (1,4-diphenylbenzenes)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002042" ;
skos:prefLabel "Terphenyls"@en .
csc:CHEMONTID_0001924
skos:narrower csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N .
csc:PCSMJKASWLYICJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12524 ;
dbo:casNumber "638-37-9" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2" ;
dbo:iupacName "BUTANEDIAL"@en ;
dbo:pubchem "12524"^^xsd:int ;
dbo:smiles "C(CC=O)C=O" ;
dbp:inchikey "InChIKey=PCSMJKASWLYICJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "succAh" ;
skos:prefLabel "succinaldehyde"@nl .
cosc:lucht a skos:Collection ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N , csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N , csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N , csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N , csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N , csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N , csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N , csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N , csc:KWKAKUADMBZCLK-UHFFFAOYSA-N , csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N , csc:RHIROFAGUQOFLU-UHFFFAOYSA-N , csc:KZBUYRJDOAKODT-UHFFFAOYSA-N , csc:QSHDDOUJBYECFT-UHFFFAOYSA-N , csc:XTXRWKRVRITETP-UHFFFAOYSA-N , csc:LELOWRISYMNNSU-UHFFFAOYSA-N , csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N , csc:PPBRXRYQALVLMV-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N , csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N , csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N , csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N , csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N , csc:YGYAWVDWMABLBF-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N , csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N , csc:BAVYZALUXZFZLV-UHFFFAOYSA-N , csc:VZGDMQKNWNREIO-UHFFFAOYSA-N , csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N , csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N , csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N , csc:WABPQHHGFIMREM-UHFFFAOYSA-N , csc:HPNMFZURTQLUMO-UHFFFAOYSA-N , csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N , csc:POAOYUHQDCAZBD-UHFFFAOYSA-N , csc:XTAHLACQOVXINQ-UHFFFAOYSA-N , csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N , csc:IUTPYMGCWINGEY-UHFFFAOYSA-N , csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N , csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N , csc:YNPNZTXNASCQKK-UHFFFAOYSA-N , csc:KSMVNVHUTQZITP-UHFFFAOYSA-N , csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N , csc:ZGEGCLOFRBLKSE-UHFFFAOYSA-N , csc:NBBJYMSMWIIQGU-UHFFFAOYSA-N , csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N , csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N , csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N , csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N , csc:NTIZESTWPVYFNL-UHFFFAOYSA-N , csc:GOOHAUXETOMSMM-UHFFFAOYSA-N , csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N , csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N , csc:IAYPIBMASNFSPL-UHFFFAOYSA-N , csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N , csc:HXGDTGSAIMULJN-UHFFFAOYSA-N , csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N , csc:AKEJUJNQAAGONA-UHFFFAOYSA-N , csc:XUAWBXBYHDRROL-UHFFFAOYSA-N , csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N , csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N , csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N , csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N , csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N , csc:IKHGUXGNUITLKF-UHFFFAOYSA-N , csc:URLKBWYHVLBVBO-UHFFFAOYSA-N , csc:CURLTUGMZLYLDI-UHFFFAOYSA-N , csc:BDERNNFJNOPAEC-UHFFFAOYSA-N , csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N , csc:BASFCYQUMIYNBI-UHFFFAOYSA-N , csc:RWSOTUBLDIXVET-UHFFFAOYSA-N , csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N , csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N , csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N , csc:XYLMUPLGERFSHI-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N , csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N , csc:WIDHRBRBACOVOY-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N , csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N , csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N , csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N , csc:LAHWLEDBADHJGA-UHFFFAOYSA-N , csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-UPHRSURJSA-N , csc:WMOVHXAZOJBABW-UHFFFAOYSA-N , csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N , csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N , csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N , csc:BKIMMITUMNQMOS-UHFFFAOYSA-N , csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N , csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N , csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N , csc:CSCPPACGZOOCGX-UHFFFAOYSA-N , csc:QAOWNCQODCNURD-UHFFFAOYSA-N , csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N , csc:FSPZPQQWDODWAU-UHFFFAOYSA-N , csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N , csc:GJRQTCIYDGXPES-UHFFFAOYSA-N , csc:BAPJBEWLBFYGME-UHFFFAOYSA-N , csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N , csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N , csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N , csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N , csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N , csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N , csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N , csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N , csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N , csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N , csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N , csc:WUOBERCRSABHOT-UHFFFAOYSA-N , csc:CYTYCFOTNPOANT-UHFFFAOYSA-N , csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N , csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N , csc:WYURNTSHIVDZCO-UHFFFAOYSA-N , csc:VLKZOEOYAKHREP-UHFFFAOYSA-N , csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N , csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N , csc:TVMXDCGIABBOFY-UHFFFAOYSA-N , csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N , csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N , csc:DURPTKYDGMDSBL-UHFFFAOYSA-N , csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N , csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N , csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N , csc:QTBSBXVTEAMEQO-UHFFFAOYSA-N , csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N , csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N , csc:YMWUJEATGCHHMB-UHFFFAOYSA-N , csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N , csc:REHONNLQRWTIFF-UHFFFAOYSA-N , csc:GSWAOPJLTADLTN-UHFFFAOYSA-N , csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N , csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N , csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N , csc:OGBQILNBLMPPDP-UHFFFAOYSA-N , csc:PWHULOQIROXLJO-UHFFFAOYSA-N , csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:CYRMSUTZVYGINF-UHFFFAOYSA-N , csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N , csc:BUGBHKTXTAQXES-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N , csc:PXHVJJICTQNCMI-UHFFFAOYSA-N , csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N , csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N , csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N , csc:LGXVIGDEPROXKC-UHFFFAOYSA-N , csc:XNWFRZJHXBZDAG-UHFFFAOYSA-N , csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N , csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N , csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:HGUFODBRKLSHSI-UHFFFAOYSA-N , csc:TZIHFWKZFHZASV-UHFFFAOYSA-N , csc:PAAZPARNPHGIKF-UHFFFAOYSA-N , csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N , csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N , csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N , csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N , csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N , csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N , csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N , csc:RQNWIZPPADIBDY-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N , csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N , csc:LHRCREOYAASXPZ-UHFFFAOYSA-N , csc:NIXOWILDQLNWCW-UHFFFAOYSA-N , csc:SECXISVLQFMRJM-UHFFFAOYSA-N , csc:DXBHBZVCASKNBY-UHFFFAOYSA-N , csc:WDECIBYCCFPHNR-UHFFFAOYSA-N , csc:HAXBIWFMXWRORI-UHFFFAOYSA-N , csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N , csc:BDAGIHXWWSANSR-UHFFFAOYSA-N , csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N , csc:LFSAPCRASZRSKS-UHFFFAOYSA-N , csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N , csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N , csc:WBHQEUPUMONIKF-UHFFFAOYSA-N , csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N , csc:LRHPLDYGYMQRHN-UHFFFAOYSA-N , csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N , csc:VNWKTOKETHGBQD-UHFFFAOYSA-N ;
skos:prefLabel "Chemische stoffen die in lucht gemeten worden."@nl .
csc:QWTDNUCVQCZILF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6556 ;
dbo:casNumber "68923-44-4" , "78-78-4" , "70024-92-9" , "68513-65-5" , "92046-46-3" ;
dbo:formula "C5H12" ;
dbo:inchi "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylbutane"@en ;
dbo:pubchem "6556"^^xsd:int ;
dbo:smiles "CCC(C)C" ;
dbp:inchikey "InChIKey=QWTDNUCVQCZILF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC4a" ;
skos:prefLabel "2-methylbutaan"@nl .
csc:DPUOLQHDNGRHBS-KTKRTIGZSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281116 ;
dbo:casNumber "112-86-7" ;
dbo:formula "C22H42O2" ;
dbo:inchi "InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-" ;
dbo:iupacName "(Z)-Docos-13-enoic acid"@en ;
dbo:pubchem "5281116"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=DPUOLQHDNGRHBS-KTKRTIGZSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "erczr" ;
skos:prefLabel "erucazuur"@nl .
csc:KQNPFQTWMSNSAP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6590 ;
dbo:casNumber "79-31-2" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" ;
dbo:iupacName "2-Methylpropanoic acid"@en ;
dbo:pubchem "6590"^^xsd:int ;
dbo:smiles "CC(C)C(=O)O" ;
dbp:inchikey "InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ibtzr" ;
skos:prefLabel "iso-boterzuur"@nl .
csc:RMLPZKRPSQVRAB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11232 ;
dbo:casNumber "563-04-2" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3" ;
dbo:iupacName "tris(3-methylphenyl) phosphate"@en ;
dbo:pubchem "11232"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C" ;
dbp:inchikey "InChIKey=RMLPZKRPSQVRAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TmcsPO4" ;
skos:prefLabel "tri-m-cresylfosfaat"@nl .
csc:DDUIUBPJPOKOMV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13290 ;
dbo:casNumber "841-06-5" ;
dbo:formula "C11H21N5OS" ;
dbo:inchi "InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "N'-(3-methoxypropyl)-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13290"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)NCCCOC)SC" ;
dbp:inchikey "InChIKey=DDUIUBPJPOKOMV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metptn" ;
skos:prefLabel "methoprotryn"@nl .
csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:38199 ;
dbo:casNumber "38998-75-3" , "67562-39-4" , "67652-39-5" ;
dbo:formula "C12HCl7O" ;
dbo:inchi "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H" ;
dbo:iupacName "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "38199"^^xsd:int ;
dbo:smiles "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WDMKCPIVJOGHBF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,4,6,7,8-heptachloordibenzofuran"@nl , " 1,2,3,4,6,7,8-heptachloordibenzofuraan"@nl , "1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_67562-39-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF131" ;
skos:prefLabel "1,2,3,4,6,7,8-heptachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1244"^^xsd:int .
csc:CHEMONTID_0000129
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000129 ;
skos:definition "Organic compounds in which at least one hydroxyl functional group (-OH) is bound to a carbon atom, usually connected to other carbon or hydrogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000129" ;
skos:prefLabel "Alcohols and polyols"@en .
csc:CHEMONTID_0003099
skos:narrower csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N .
csc:CHEMONTID_0001982
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001982 ;
skos:definition "Compounds containing a furan ring bearing a ketone group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001982" ;
skos:prefLabel "Furanones"@en .
csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29131 ;
dbo:casNumber "18540-29-9" ;
dbo:formula "Cr+6" ;
dbo:inchi "InChI=1S/Cr/q+6" ;
dbo:iupacName "chromium(+6) cation"@en ;
dbo:pubchem "29131"^^xsd:int ;
dbo:smiles "[Cr+6]" ;
dbp:inchikey "InChIKey=JOPOVCBBYLSVDA-UHFFFAOYSA-N" ;
skos:altLabel "chroom, zeswaardig"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_18540-29-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CrVI" ;
skos:prefLabel "chroom (zeswaardig)"@nl ;
vcs:vmmParameterId "156"^^xsd:int , "2101"^^xsd:int , "1201"^^xsd:int .
csc:RZXMPPFPUUCRFN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7813 ;
dbo:casNumber "26915-12-8" , "106-49-0" , "12221-03-3" , "25640-74-8" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3" ;
dbo:iupacName "4-Methylaniline"@en ;
dbo:pubchem "7813"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=RZXMPPFPUUCRFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yAn" ;
skos:prefLabel "4-methylaniline"@nl .
csc:ZUXABONWMNSFBN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2818 ;
dbo:casNumber "5786-21-0" ;
dbo:formula "C18H19ClN4" ;
dbo:inchi "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3" ;
dbo:iupacName "3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine"@en ;
dbo:pubchem "2818"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl" ;
dbp:inchikey "InChIKey=ZUXABONWMNSFBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000072 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clozpne" ;
skos:prefLabel "clozapine"@nl .
csc:HDWLUGYOLUHEMN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13783 ;
dbo:casNumber "62655-72-5" , "61840-20-8" , "973-21-7" ;
dbo:formula "C14H18N2O7" ;
dbo:inchi "InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3" ;
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate"@en ;
dbo:pubchem "13783"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C" ;
dbp:inchikey "InChIKey=HDWLUGYOLUHEMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnbtn" ;
skos:prefLabel "dinobuton"@nl .
csc:JLRGJRBPOGGCBT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5505 ;
dbo:casNumber "64-77-7" , "100735-34-0" ;
dbo:formula "C12H18N2O3S" ;
dbo:inchi "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)" ;
dbo:iupacName "1-butyl-3-(4-methylphenyl)sulfonylurea"@en ;
dbo:pubchem "5505"^^xsd:int ;
dbo:smiles "CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C" ;
dbp:inchikey "InChIKey=JLRGJRBPOGGCBT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolbAd" ;
skos:prefLabel "tolbutamide"@nl .
csc:JZUFKLXOESDKRF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3639 ;
dbo:casNumber "58-93-5" , "8049-49-8" , "125727-50-6" ;
dbo:formula "C7H8ClN3O4S2" ;
dbo:inchi "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)" ;
dbo:iupacName "6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide"@en ;
dbo:pubchem "3639"^^xsd:int ;
dbo:smiles "C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl" ;
dbp:inchikey "InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCltazde" ;
skos:prefLabel "hydrochloorthiazide"@nl .
csc:CHEMONTID_0001897
skos:narrower csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N , csc:OPKOKAMJFNKNAS-UHFFFAOYSA-N , csc:HZAXFHJVJLSVMW-UHFFFAOYSA-N , csc:GSEJCLTVZPLZKY-UHFFFAOYSA-N , csc:CRVGTESFCCXCTH-UHFFFAOYSA-N .
csc:DHAZIUXMHRHVMP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8047 ;
dbo:casNumber "110-36-1" ;
dbo:formula "C18H36O2" ;
dbo:inchi "InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3" ;
dbo:iupacName "Butyl tetradecanoate"@en ;
dbo:pubchem "8047"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(=O)OCCCC" ;
dbp:inchikey "InChIKey=DHAZIUXMHRHVMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yC14aoat" ;
skos:prefLabel "butyltetradecanoaat"@nl .
csc:JKWMSGQKBLHBQQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:518682 ;
dbo:casNumber "1303-86-2" ;
dbo:formula "B2O3" ;
dbo:inchi "InChI=1S/B2O3/c3-1-5-2-4" ;
dbo:iupacName "oxo-oxoboranyloxyborane"@en ;
dbo:pubchem "518682"^^xsd:int ;
dbo:smiles "B(=O)OB=O" ;
dbp:inchikey "InChIKey=JKWMSGQKBLHBQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "B2O3" ;
skos:prefLabel "diboortrioxide"@nl .
csc:CPLXHLVBOLITMK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14792 ;
dbo:casNumber "187036-80-2" , "82375-77-7" , "185461-91-0" , "1309-48-4" , "13589-16-7" , "52933-73-0" ;
dbo:formula "MgO" ;
dbo:inchi "InChI=1S/Mg.O" ;
dbo:iupacName "oxomagnesium"@en ;
dbo:pubchem "14792"^^xsd:int ;
dbo:smiles "O=[Mg]" ;
dbp:inchikey "InChIKey=CPLXHLVBOLITMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000546 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgO" ;
skos:prefLabel "magnesiumoxide"@nl .
csc:CHEMONTID_0004788
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004788 ;
skos:definition "Aromatic heterocyclic chemical compounds containing a naphthalene derivative, where two carbon atoms are replaced by nitrogen atoms. They are subdivided in benzodiazines and naphthyridines."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004788" ;
skos:prefLabel "Diazanaphthalenes"@en .
csc:ZXNWYMNKYXUZGM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:94452 ;
dbo:casNumber "33973-59-0" , "826-36-8" ;
dbo:formula "C9H18ClNO" ;
dbo:inchi "InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H" ;
dbo:iupacName "2,2,6,6-Tetramethylpiperidin-4-one hydrochloride"@en ;
dbo:pubchem "94452"^^xsd:int ;
dbo:smiles "CC1(CC(=O)CC(N1)(C)C)C.Cl" ;
dbp:inchikey "InChIKey=ZXNWYMNKYXUZGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TactnAe" ;
skos:prefLabel "triacetonamine"@nl .
csc:IRMGVPILCPGYNQ-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3017829 ;
dbo:casNumber "68105-02-2" ;
dbo:formula "C30H64BrN" ;
dbo:inchi "InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-di(tetradecyl)azanium bromide"@en ;
dbo:pubchem "3017829"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]" ;
dbp:inchikey "InChIKey=IRMGVPILCPGYNQ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDC14yNH4" ;
skos:prefLabel "dimethylditetradecylammonium bromide"@nl .
csc:ZYZCGGRZINLQBL-GWRQVWKTSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:445434 ;
dbo:casNumber "101043-37-2" ;
dbo:formula "C49H74N10O12" ;
dbo:inchi "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1" ;
dbo:iupacName "(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "445434"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "InChIKey=ZYZCGGRZINLQBL-GWRQVWKTSA-N" ;
skos:altLabel "microcystine-LR"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LR" ;
skos:prefLabel "microcystine-lr"@nl .
csc:PWPJGUXAGUPAHP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71777 ;
dbo:casNumber "103055-07-8" ;
dbo:formula "C17H8Cl2F8N2O3" ;
dbo:inchi "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)" ;
dbo:iupacName "N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "71777"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F" ;
dbp:inchikey "InChIKey=PWPJGUXAGUPAHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lufnrn" ;
skos:prefLabel "lufenuron"@nl .
csc:HUTDUHSNJYTCAR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25572 ;
dbo:casNumber "51025-96-8" , "33712-16-2" , "50642-61-0" , "12771-68-5" ;
dbo:formula "C15H16N2O2" ;
dbo:inchi "InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3" ;
dbo:iupacName "cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "25572"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O" ;
dbp:inchikey "InChIKey=HUTDUHSNJYTCAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ancmdl" ;
skos:prefLabel "ancymidol"@nl .
csc:XMAYWYJOQHXEEK-ZEQKJWHPSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47576 ;
dbo:casNumber "65277-42-1" ;
dbo:formula "C26H28Cl2N4O4" ;
dbo:inchi "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1" ;
dbo:iupacName "1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone"@en ;
dbo:pubchem "47576"^^xsd:int ;
dbo:smiles "CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl" ;
dbp:inchikey "InChIKey=XMAYWYJOQHXEEK-ZEQKJWHPSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "ketoconazol"@nl .
csc:CHEMONTID_0001961
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001961 ;
skos:definition "Natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001961" ;
skos:prefLabel "Depsipeptides"@en .
csc:UHZZMRAGKVHANO-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13836 ;
dbo:casNumber "8073-20-9" , "999-81-5" , "39394-21-3" ;
dbo:formula "C5H13Cl2N" ;
dbo:inchi "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "2-chloroethyl-trimethylazanium chloride"@en ;
dbo:pubchem "13836"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CCCl.[Cl-]" ;
dbp:inchikey "InChIKey=UHZZMRAGKVHANO-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClmqCl" ;
skos:prefLabel "chloormequatchloride"@nl .
csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154482 ;
dbo:casNumber "82865-89-2" , "36355-01-8" ;
dbo:formula "C12H4Br6" ;
dbo:inchi "InChI=1S/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene"@en ;
dbo:pubchem "154482"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=PTJQVJQAZSLKJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:exactMatch wise:CAS_36355-01-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxBr11bFy" ;
skos:prefLabel "hexabroom-1,1'-bifenyl"@nl ;
vcs:vmmParameterId "958"^^xsd:int .
csc:VYXSBFYARXAAKO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13806 ;
dbo:casNumber "989-38-8" ;
dbo:formula "C28H31ClN2O3" ;
dbo:inchi "InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H" ;
dbo:iupacName "ethyl 2-(3-ethylamino-6-ethylimino-2,7-dimethylxanthen-9-yl)benzoate hydrochloride"@en ;
dbo:pubchem "13806"^^xsd:int ;
dbo:smiles "CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]" ;
dbp:inchikey "InChIKey=VYXSBFYARXAAKO-UHFFFAOYSA-N" ;
skos:altLabel "c.i. basic red 1"@nl ;
skos:broader csc:CHEMONTID_0000200 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cibrd1" ;
skos:prefLabel "C.I. Basic Red 1"@nl .
csc:CXJSOEPQXUCJSA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8381 ;
dbo:casNumber "119-12-0" ;
dbo:formula "C14H17N2O4PS" ;
dbo:inchi "InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3" ;
dbo:iupacName "6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one"@en ;
dbo:pubchem "8381"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CXJSOEPQXUCJSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdfton" ;
skos:prefLabel "pyridafention"@nl .
csc:CHEMONTID_0004226
skos:narrower csc:VREFGVBLTWBCJP-UHFFFAOYSA-N .
csc:APTZNLHMIGJTEW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182951 ;
dbo:casNumber "129630-19-9" ;
dbo:formula "C15H13Cl2F3N2O4" ;
dbo:inchi "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3" ;
dbo:iupacName "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate"@en ;
dbo:pubchem "182951"^^xsd:int ;
dbo:smiles "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl" ;
dbp:inchikey "InChIKey=APTZNLHMIGJTEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrffnC2y" ;
skos:prefLabel "pyraflufen-ethyl"@nl .
csc:HNRMPXKDFBEGFZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6403 ;
dbo:casNumber "75-83-2" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3" ;
dbo:iupacName "2,2-Dimethylbutane"@en ;
dbo:pubchem "6403"^^xsd:int ;
dbo:smiles "CCC(C)(C)C" ;
dbp:inchikey "InChIKey=HNRMPXKDFBEGFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yC4a" ;
skos:prefLabel "dimethylbutaan"@nl .
csc:GLYJVQDYLFAUFC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8090 ;
dbo:casNumber "111-06-8" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3" ;
dbo:iupacName "Butyl hexadecanoate"@en ;
dbo:pubchem "8090"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OCCCC" ;
dbp:inchikey "InChIKey=GLYJVQDYLFAUFC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yC16aoat" ;
skos:prefLabel "butylhexadecanoaat"@nl .
csc:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:679 ;
dbo:casNumber "8070-53-9" , "67-68-5" , "164071-41-4" ;
dbo:formula "C2H6OS" ;
dbo:inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" ;
dbo:iupacName "Methylsulfinylmethane"@en ;
dbo:pubchem "679"^^xsd:int ;
dbo:smiles "CS(=O)C" ;
dbp:inchikey "InChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000491 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ySO" ;
skos:prefLabel "dimethylsulfoxide"@nl .
csc:WABPQHHGFIMREM-RKEGKUSMSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328551 ;
dbo:casNumber "15067-28-4" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+7" ;
dbo:iupacName "lead-214"@en ;
dbo:pubchem "6328551"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "InChIKey=WABPQHHGFIMREM-RKEGKUSMSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb214" ;
skos:prefLabel "lood 214"@nl .
csc:RESBOJMQOGJOMW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61657 ;
dbo:casNumber "13678-59-6" ;
dbo:formula "C6H8OS" ;
dbo:inchi "InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3" ;
dbo:iupacName "2-methyl-5-methylsulfanylfuran"@en ;
dbo:pubchem "61657"^^xsd:int ;
dbo:smiles "CC1=CC=C(O1)SC" ;
dbp:inchikey "InChIKey=RESBOJMQOGJOMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y5C1ytofr" ;
skos:prefLabel "2-methyl-5-(methylthio)furan"@nl .
csc:YFTHZRPMJXBUME-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7616 ;
dbo:casNumber "112488-51-4" , "102-69-2" ;
dbo:formula "C9H21N" ;
dbo:inchi "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "N,N-dipropylpropan-1-amine"@en ;
dbo:pubchem "7616"^^xsd:int ;
dbo:smiles "CCCN(CCC)CCC" ;
dbp:inchikey "InChIKey=YFTHZRPMJXBUME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yAe" ;
skos:prefLabel "tripropylamine"@nl .
csc:CHEMONTID_0004767
skos:narrower csc:LRNJHZNPJSPMGK-UHFFFAOYSA-N , csc:CVRALZAYCYJELZ-UHFFFAOYSA-N , csc:AIGRXSNSLVJMEA-UHFFFAOYSA-N .
csc:KAATUXNTWXVJKI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2912 ;
dbo:casNumber "69865-47-0" , "186554-45-0" , "88161-75-5" , "71697-59-1" , "137497-61-1" , "159940-28-0" , "52315-07-8" , "146909-55-9" , "142443-95-6" , "139203-31-9" , "97955-44-7" , "86752-99-0" , "86753-92-6" ;
dbo:formula "C22H19Cl2NO3" ;
dbo:inchi "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "2912"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=KAATUXNTWXVJKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:exactMatch wise:CAS_52315-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypmtn" ;
skos:prefLabel "cypermethrin"@nl ;
vcs:vmmParameterId "1075"^^xsd:int .
csc:ZPTVNYMJQHSSEA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7473 ;
dbo:casNumber "99-99-0" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "['N,N-dihydroxy-4-methylaniline', '1-Methyl-4-nitrobenzene']"@en ;
dbo:pubchem "7473"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ZPTVNYMJQHSSEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2Tol" ;
skos:prefLabel "4-nitrotolueen"@nl .
csc:CHEMONTID_0001314
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001314 ;
skos:definition "Organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VDFVNEFVBPFDSB-UHFFFAOYSA-N , csc:BGCSUUSPRCDKBQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001314" ;
skos:prefLabel "1,3-dioxanes"@en .
csc:LSNNMFCWUKXFEE-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1099 ;
dbo:casNumber "14265-45-3" ;
dbo:formula "O3S-2" ;
dbo:inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" ;
dbo:iupacName "sulfite"@en ;
dbo:pubchem "1099"^^xsd:int ;
dbo:smiles "[O-]S(=O)[O-]" ;
dbp:inchikey "InChIKey=LSNNMFCWUKXFEE-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SO3" ;
skos:prefLabel "sulfiet"@nl .
csc:JUJWROOIHBZHMG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1049 ;
dbo:casNumber "152758-95-7" , "45410-39-7" , "6999-00-4" , "82005-06-9" , "163392-20-9" , "85404-19-9" , "110-86-1" , "85404-20-2" , "62301-32-0" ;
dbo:formula "C5H5N" ;
dbo:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" ;
dbo:iupacName "Pyridine"@en ;
dbo:pubchem "1049"^^xsd:int ;
dbo:smiles "C1=CC=NC=C1" ;
dbp:inchikey "InChIKey=JUJWROOIHBZHMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdne" ;
skos:prefLabel "pyridine"@nl .
csc:SJXPQSRCFCPWQQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:117746 ;
dbo:casNumber "2682-20-4" , "26172-54-3" , "116680-95-6" ;
dbo:formula "C4H6ClNOS" ;
dbo:inchi "InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H" ;
dbo:iupacName "2-methyl-1,2-thiazol-3-one hydrochloride"@en ;
dbo:pubchem "117746"^^xsd:int ;
dbo:smiles "CN1C(=O)C=CS1.Cl" ;
dbp:inchikey "InChIKey=SJXPQSRCFCPWQQ-UHFFFAOYSA-N" ;
skos:altLabel "2-methyl-2H-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0000095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2Hitaz3o" ;
skos:prefLabel "2-methyl-2h-isothiazool-3-on"@nl .
csc:UXOOFXUEODCAIP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104942 ;
dbo:casNumber "60044-26-0" ;
dbo:formula "C12H4Br6" ;
dbo:inchi "InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H" ;
dbo:iupacName "1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene"@en ;
dbo:pubchem "104942"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)Br)Br)C2=CC(=C(C(=C2)Br)Br)Br" ;
dbp:inchikey "InChIKey=UXOOFXUEODCAIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB169" ;
skos:prefLabel "3,3',4,4',5,5'-hexabroombifenyl"@nl .
csc:KCOCSOWTADCKOL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91596 ;
dbo:casNumber "30043-49-3" ;
dbo:formula "C7H12N4O3S2" ;
dbo:inchi "InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)" ;
dbo:iupacName "1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea"@en ;
dbo:pubchem "91596"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC" ;
dbp:inchikey "InChIKey=KCOCSOWTADCKOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000093 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etdmrn" ;
skos:prefLabel "ethidimuron"@nl .
csc:CHEMONTID_0001229
skos:narrower csc:FUSGACRLAFQQRL-UHFFFAOYSA-N .
csc:ZRKMQKLGEQPLNS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8067 ;
dbo:casNumber "110-66-7" ;
dbo:formula "C5H12S" ;
dbo:inchi "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "pentane-1-thiol"@en ;
dbo:pubchem "8067"^^xsd:int ;
dbo:smiles "CCCCCS" ;
dbp:inchikey "InChIKey=ZRKMQKLGEQPLNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C5atol" ;
skos:prefLabel "1-pentaanthiol"@nl .
csc:CHEMONTID_0004831
skos:narrower csc:IXBQSRWSVIBXNC-ANPQUZCZSA-N .
csc:XSWVFEQKZFUULO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:114809 ;
dbo:casNumber "71133-14-7" ;
dbo:formula "C2HBrCl2O2" ;
dbo:inchi "InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2-bromo-2,2-dichloroacetic acid"@en ;
dbo:pubchem "114809"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Br)O" ;
dbp:inchikey "InChIKey=XSWVFEQKZFUULO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrDClHAc" ;
skos:prefLabel "broomdichloorazijnzuur"@nl .
csc:XRQHTUDGPWMPKX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17424 ;
dbo:casNumber "2588-03-6" ;
dbo:formula "C7H17O3PS3" ;
dbo:inchi "InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17424"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)CC" ;
dbp:inchikey "InChIKey=XRQHTUDGPWMPKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forsfOxd" ;
skos:prefLabel "foraat-sulfoxide"@nl .
csc:UREZNYTWGJKWBI-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8478 ;
dbo:casNumber "5929-09-9" , "39362-38-4" , "121-54-0" ;
dbo:formula "C27H42ClNO2" ;
dbo:inchi "InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride"@en ;
dbo:pubchem "8478"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]" ;
dbp:inchikey "InChIKey=UREZNYTWGJKWBI-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BentnmCl" ;
skos:prefLabel "benzethonium chloride"@nl .
csc:CHEMONTID_0000145
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000145 ;
skos:definition "Polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZYGHJZDHTFUPRJ-UHFFFAOYSA-N , csc:BXNANOICGRISHX-UHFFFAOYSA-N , csc:DLHXRDUXNVEIEY-UHFFFAOYSA-N , csc:KIGBUEKEZHTCDR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000145" ;
skos:prefLabel "Coumarins and derivatives"@en .
csc:BGEHHAVMRVXCGR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25311 ;
dbo:casNumber "10486-19-8" ;
dbo:formula "C13H26O" ;
dbo:inchi "InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3" ;
dbo:iupacName "TRIDECANAL"@en ;
dbo:pubchem "25311"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC=O" ;
dbp:inchikey "InChIKey=BGEHHAVMRVXCGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13al" ;
skos:prefLabel "tridecanal"@nl .
csc:ORFOPKXBNMVMKC-DWVKKRMSSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5481173 ;
dbo:casNumber "72558-82-8" ;
dbo:formula "C22H22N6O7S2" ;
dbo:inchi "InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "5481173"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]" ;
dbp:inchikey "InChIKey=ORFOPKXBNMVMKC-DWVKKRMSSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceftzdme" ;
skos:prefLabel "ceftazidime"@nl .
csc:ICKWICRCANNIBI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7311 ;
dbo:casNumber "96-76-4" , "50356-26-8" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3" ;
dbo:iupacName "2,4-ditert-butylphenol"@en ;
dbo:pubchem "7311"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=ICKWICRCANNIBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DttC4yFol" ;
skos:prefLabel "2,4-di-tertiair-butylfenol"@nl .
csc:VPNYRYCIDCJBOM-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11693 ;
dbo:casNumber "596-51-0" , "53808-86-9" ;
dbo:formula "C19H28BrNO3" ;
dbo:inchi "InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1" ;
dbo:iupacName "(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide"@en ;
dbo:pubchem "11693"^^xsd:int ;
dbo:smiles "C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]" ;
dbp:inchikey "InChIKey=VPNYRYCIDCJBOM-UHFFFAOYSA-M" ;
skos:altLabel "pyrolaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrlt" , "Brprlt" ;
skos:prefLabel "broompyrolaat"@nl .
csc:HAMGRBXTJNITHG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12228 ;
dbo:casNumber "30108-95-3" , "624-83-9" ;
dbo:formula "C2H3NO" ;
dbo:inchi "InChI=1S/C2H3NO/c1-3-2-4/h1H3" ;
dbo:iupacName "methylimino-oxomethane"@en ;
dbo:pubchem "12228"^^xsd:int ;
dbo:smiles "CN=C=O" ;
dbp:inchikey "InChIKey=HAMGRBXTJNITHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yicnt" ;
skos:prefLabel "methylisocyanaat"@nl .
csc:KWIXNFOTNVKIGM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22691 ;
dbo:casNumber "6283-25-6" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2" ;
dbo:iupacName "2-Chloro-5-nitroaniline"@en ;
dbo:pubchem "22691"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])N)Cl" ;
dbp:inchikey "InChIKey=KWIXNFOTNVKIGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5NO2An" ;
skos:prefLabel "2-chloor-5-nitroaniline"@nl .
csc:KZTYYGOKRVBIMI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31386 ;
dbo:casNumber "127-63-9" ;
dbo:formula "C12H10O2S" ;
dbo:inchi "InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "phenylsulfonylbenzene"@en ;
dbo:pubchem "31386"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=KZTYYGOKRVBIMI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfysfn" ;
skos:prefLabel "difenylsulfon"@nl .
csc:PVFOMCVHYWHZJE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6420 ;
dbo:casNumber "76-02-8" ;
dbo:formula "C2Cl4O" ;
dbo:inchi "InChI=1S/C2Cl4O/c3-1(7)2(4,5)6" ;
dbo:iupacName "2,2,2-trichloroacetyl chloride"@en ;
dbo:pubchem "6420"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=PVFOMCVHYWHZJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001022 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC2al" ;
skos:prefLabel "trichlooracetylchloride"@nl .
csc:KEWNKZNZRIAIAK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13636 ;
dbo:casNumber "935-95-5" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H" ;
dbo:iupacName "2,3,5,6-TETRACHLOROPHENOL"@en ;
dbo:pubchem "13636"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl" ;
dbp:inchikey "InChIKey=KEWNKZNZRIAIAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2356T4ClFol" ;
skos:prefLabel "2,3,5,6-tetrachloorfenol"@nl .
csc:VSCWAEJMTAWNJL-UHFFFAOYSA-K
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24012 ;
dbo:casNumber "32056-15-8" , "101707-17-9" , "64441-77-6" , "245064-40-8" , "8012-66-6" , "39380-80-8" , "1327-41-9" , "143230-54-0" , "79586-02-0" , "56803-01-1" , "162535-15-1" , "135864-70-9" , "195436-38-5" , "41630-01-7" , "56831-66-4" , "11097-68-0" , "125690-94-0" , "144388-28-3" , "7446-70-0" , "37226-46-3" , "84861-98-3" , "167140-05-8" , "114442-10-3" ;
dbo:formula "AlCl3" ;
dbo:inchi "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3" ;
dbo:iupacName "['trichloroalumane', 'Aluminum trichloride']"@en ;
dbo:pubchem "24012"^^xsd:int ;
dbo:smiles "[Al](Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=VSCWAEJMTAWNJL-UHFFFAOYSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlHOxCl" ;
skos:prefLabel "aluminiumhydroxychloride"@nl .
csc:JYQUHIFYBATCCY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26124 ;
dbo:casNumber "54511-12-5" , "13593-03-8" , "37331-41-2" ;
dbo:formula "C12H15N2O3PS" ;
dbo:inchi "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "26124"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1" ;
dbp:inchikey "InChIKey=JYQUHIFYBATCCY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinfs" ;
skos:prefLabel "quinalfos"@nl .
csc:WVLBCYQITXONBZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10541 ;
dbo:casNumber "91316-44-8" , "512-56-1" ;
dbo:formula "C3H9O4P" ;
dbo:inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" ;
dbo:iupacName "['hydroxy-trimethoxyphosphanium', 'Trimethyl phosphate']"@en ;
dbo:pubchem "10541"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=WVLBCYQITXONBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yPO4" ;
skos:prefLabel "trimethylfosfaat"@nl .
csc:OAYXUHPQHDHDDZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8177 ;
dbo:casNumber "112-34-5" , "210818-08-9" ;
dbo:formula "C8H18O3" ;
dbo:inchi "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3" ;
dbo:iupacName "2-(2-Butoxyethoxy)ethanol"@en ;
dbo:pubchem "8177"^^xsd:int ;
dbo:smiles "CCCCOCCOCCO" ;
dbp:inchikey "InChIKey=OAYXUHPQHDHDDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C4oxC2oxC2" ;
skos:prefLabel "2-(2-butoxyethoxy)ethanol"@nl .
csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31275 ;
dbo:casNumber "39449-24-6" , "54841-74-6" , "123-91-1" , "28347-88-8" , "28347-91-3" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" ;
dbo:iupacName "1,4-Dioxane"@en ;
dbo:pubchem "31275"^^xsd:int ;
dbo:smiles "C1COCCO1" ;
dbp:inchikey "InChIKey=RYHBNJHYFVUHQT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_008 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001313 ;
skos:exactMatch wise:CAS_123-91-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DOxan" ;
skos:prefLabel "1,4-dioxaan"@nl ;
vcs:vmmParameterId "861"^^xsd:int .
csc:YEHHNHSVUHPNNT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31393 ;
dbo:casNumber "127-90-2" ;
dbo:formula "C6H6Cl8O" ;
dbo:inchi "InChI=1S/C6H6Cl8O/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2" ;
dbo:iupacName "1,1,1,3-tetrachloro-3-(1,3,3,3-tetrachloropropoxy)propane"@en ;
dbo:pubchem "31393"^^xsd:int ;
dbo:smiles "C(C(OC(CC(Cl)(Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=YEHHNHSVUHPNNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2333T4ClC3y" ;
skos:prefLabel "di-(2,3,3,3-tetrachloorpropyl)ether"@nl .
csc:FBUKVWPVBMHYJY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8158 ;
dbo:casNumber "58253-02-4" , "68937-75-7" , "112-05-0" ;
dbo:formula "C9H18O2" ;
dbo:inchi "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)" ;
dbo:iupacName "Nonanoic acid"@en ;
dbo:pubchem "8158"^^xsd:int ;
dbo:smiles "CCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=FBUKVWPVBMHYJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9azr" ;
skos:prefLabel "nonaanzuur"@nl .
csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:30479 ;
dbo:casNumber "21087-64-9" ;
dbo:formula "C8H14N4OS" ;
dbo:inchi "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3" ;
dbo:iupacName "4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one"@en ;
dbo:pubchem "30479"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NN=C(N(C1=O)N)SC" ;
dbp:inchikey "InChIKey=FOXFZRUHNHCZPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:exactMatch wise:CAS_21087-64-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbzn" ;
skos:prefLabel "metribuzin"@nl ;
vcs:vmmParameterId "1026"^^xsd:int .
csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11245 ;
dbo:casNumber "563-58-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3" ;
dbo:iupacName "1,1-dichloroprop-1-ene"@en ;
dbo:pubchem "11245"^^xsd:int ;
dbo:smiles "CC=C(Cl)Cl" ;
dbp:inchikey "InChIKey=ZAIDIVBQUMFXEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001168 ;
skos:exactMatch wise:CAS_563-58-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC3e" ;
skos:prefLabel "1,1-dichloorpropeen"@nl ;
vcs:vmmParameterId "544"^^xsd:int .
csc:CHEMONTID_0003100
skos:narrower csc:DGAIEPBNLOQYER-UHFFFAOYSA-N , csc:CNKHSLKYRMDDNQ-UHFFFAOYSA-N .
csc:CHEMONTID_0003094
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003094 ;
skos:definition "Organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QAYICIQNSGETAS-UHFFFAOYSA-N , csc:PRLVTUNWOQKEAI-UHFFFAOYSA-N , csc:NDYULEPTCXJCJM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003094" ;
skos:prefLabel "Thiadiazinanes"@en .
csc:VPAYJEUHKVESSD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16843 ;
dbo:casNumber "263005-66-9" , "2314-97-8" ;
dbo:formula "CF3I" ;
dbo:inchi "InChI=1S/CF3I/c2-1(3,4)5" ;
dbo:iupacName "trifluoro-iodomethane"@en ;
dbo:pubchem "16843"^^xsd:int ;
dbo:smiles "C(F)(F)(F)I" ;
dbp:inchikey "InChIKey=VPAYJEUHKVESSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFIC1a" ;
skos:prefLabel "trifluorjoodmethaan"@nl .
csc:JJYPMNFTHPTTDI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7934 ;
dbo:casNumber "108-44-1" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3" ;
dbo:iupacName "3-Methylaniline"@en ;
dbo:pubchem "7934"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)N" ;
dbp:inchikey "InChIKey=JJYPMNFTHPTTDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yAn" ;
skos:prefLabel "3-methylaniline"@nl .
csc:LHRCREOYAASXPZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D2)"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:5889 ;
dbo:casNumber "56-56-4" , "53-70-3" ;
dbo:formula "C22H14" ;
dbo:inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H" ;
dbo:iupacName "naphtho[1,2-b]phenanthrene"@en ;
dbo:pubchem "5889"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32" ;
dbp:inchikey "InChIKey=LHRCREOYAASXPZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "dibenzo(a,h)an-traceen"@nl , "dibenzo(a,h)antraceen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_53-70-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBahAnt" ;
skos:prefLabel "dibenzo(a,h)anthraceen"@nl ;
vcs:vmmParameterId "426"^^xsd:int , "1428"^^xsd:int .
csc:NIWWFAAXEMMFMS-IGMARMGPSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167403 ;
dbo:casNumber "15758-32-4" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1+0" ;
dbo:iupacName "curium-247"@en ;
dbo:pubchem "167403"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "InChIKey=NIWWFAAXEMMFMS-IGMARMGPSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm247" ;
skos:prefLabel "curium 247"@nl .
csc:CHEMONTID_0000039
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000039 ;
skos:definition "Organic compounds containing a sulfamic acid moiety or a derivative, with the general structure R1N(R2)S(=O)2OR3 (R1,R2,R3=H, alkyl, aryl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000039" ;
skos:prefLabel "Sulfamic acid derivatives"@en .
csc:IFEJLMHZNQJGQU-UDEWSXLWSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436024 ;
dbo:casNumber "40665-92-7" , "55028-72-3" ;
dbo:formula "C22H28ClNaO6" ;
dbo:inchi "InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19?,20+,21-;/m1./s1" ;
dbo:iupacName "sodium (Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate"@en ;
dbo:pubchem "6436024"^^xsd:int ;
dbo:smiles "C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]" ;
dbp:inchikey "InChIKey=IFEJLMHZNQJGQU-UDEWSXLWSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloptnl" ;
skos:prefLabel "cloprostenol"@nl .
csc:LUZDYPLAQQGJEA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7119 ;
dbo:casNumber "93-04-9" ;
dbo:formula "C11H10O" ;
dbo:inchi "InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3" ;
dbo:iupacName "2-Methoxynaphthalene"@en ;
dbo:pubchem "7119"^^xsd:int ;
dbo:smiles "COC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "InChIKey=LUZDYPLAQQGJEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxNaf" ;
skos:prefLabel "2-methoxynaftaleen"@nl .
csc:CBLVUXPPNHUKDE-QBFSEMIESA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034433 ;
dbo:casNumber "55634-91-8" ;
dbo:formula "C17H25NO5" ;
dbo:inchi "InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-" ;
dbo:iupacName "methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate"@en ;
dbo:pubchem "3034433"^^xsd:int ;
dbo:smiles "CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NOCC=C" ;
dbp:inchikey "InChIKey=CBLVUXPPNHUKDE-QBFSEMIESA-N" ;
skos:broader csc:CHEMONTID_0000133 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allxdm" ;
skos:prefLabel "alloxydim"@nl .
csc:IGLNJRXAVVLDKE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5357696 ;
dbo:casNumber "7440-17-7" , "15438-27-4" , "22438-27-3" ;
dbo:formula "Rb" ;
dbo:inchi "InChI=1S/Rb" ;
dbo:iupacName "RUBIDIUM"@en ;
dbo:pubchem "5357696"^^xsd:int ;
dbo:smiles "[Rb]" ;
dbp:inchikey "InChIKey=IGLNJRXAVVLDKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Rb" ;
skos:prefLabel "rubidium"@nl .
csc:OZVJKTHTULCNHB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11712 ;
dbo:casNumber "598-16-3" ;
dbo:formula "C2HBr3" ;
dbo:inchi "InChI=1S/C2HBr3/c3-1-2(4)5/h1H" ;
dbo:iupacName "1,1,2-tribromoethene"@en ;
dbo:pubchem "11712"^^xsd:int ;
dbo:smiles "C(=C(Br)Br)Br" ;
dbp:inchikey "InChIKey=OZVJKTHTULCNHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrC2e" ;
skos:prefLabel "tribroometheen"@nl .
csc:BGDCQZFFNFXYQC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:83315 ;
dbo:casNumber "13290-74-9" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-2-methyl-4-nitrobenzene"@en ;
dbo:pubchem "83315"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=BGDCQZFFNFXYQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5NO2Tol" ;
skos:prefLabel "2-chloor-5-nitrotolueen"@nl .
csc:CHEMONTID_0002414
skos:narrower csc:PVNIIMVLHYAWGP-UHFFFAOYSA-N , csc:NQQVFXUMIDALNH-UHFFFAOYSA-N , csc:NIXXQNOQHKNPEJ-UHFFFAOYSA-N , csc:IITCWRFYJWUUPC-UHFFFAOYSA-N , csc:HUBANNPOLNYSAD-UHFFFAOYSA-N .
csc:VWGNFIQXBYRDCH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67150 ;
dbo:casNumber "122-95-2" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,4-Diethoxybenzene"@en ;
dbo:pubchem "67150"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)OCC" ;
dbp:inchikey "InChIKey=VWGNFIQXBYRDCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC2oxBen" ;
skos:prefLabel "1,4-diethoxybenzeen"@nl .
csc:CHEMONTID_0004157
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004157 ;
skos:definition "Organic compounds in which at least one of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FJBFPHVGVWTDIP-UHFFFAOYSA-N , csc:INQOMBQAUSQDDS-UHFFFAOYSA-N , csc:MEXUFEQDCXZEON-UHFFFAOYSA-N , csc:VPAYJEUHKVESSD-UHFFFAOYSA-N , csc:GZUXJHMPEANEGY-UHFFFAOYSA-N , csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N , csc:YMWUJEATGCHHMB-UHFFFAOYSA-N , csc:VZGDMQKNWNREIO-UHFFFAOYSA-N , csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N , csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N , csc:XNNQFQFUQLJSQT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004157" ;
skos:prefLabel "Halomethanes"@en .
csc:SKDNDVDHYMEGNJ-VURMDHGXSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6433494 ;
dbo:casNumber "7166-19-0" ;
dbo:formula "C8H6BrNO2" ;
dbo:inchi "InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-" ;
dbo:iupacName "[(E)-2-bromo-2-nitroethenyl]benzene"@en ;
dbo:pubchem "6433494"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=C([N+](=O)[O-])Br" ;
dbp:inchikey "InChIKey=SKDNDVDHYMEGNJ-VURMDHGXSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bBrbNO2srn" ;
skos:prefLabel "beta-broom-beta-nitrostyreen"@nl .
csc:CHEMONTID_0001813
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001813 ;
skos:definition "Compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001813" ;
skos:prefLabel "Peptidomimetics"@en .
csc:PJDFLNIOAUIZSL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5665 ;
dbo:casNumber "74046-07-4" , "60643-86-9" ;
dbo:formula "C6H11NO2" ;
dbo:inchi "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)" ;
dbo:iupacName "4-aminohex-5-enoic acid"@en ;
dbo:pubchem "5665"^^xsd:int ;
dbo:smiles "C=CC(CCC(=O)O)N" ;
dbp:inchikey "InChIKey=PJDFLNIOAUIZSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vigbtne" ;
skos:prefLabel "vigabatrine"@nl .
csc:ZOCSXAVNDGMNBV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3352 ;
dbo:casNumber "120068-37-3" ;
dbo:formula "C12H4Cl2F6N4OS" ;
dbo:inchi "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2" ;
dbo:iupacName "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile"@en ;
dbo:pubchem "3352"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F" ;
dbp:inchikey "InChIKey=ZOCSXAVNDGMNBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fipnl" ;
skos:prefLabel "fipronil"@nl .
csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3036 ;
dbo:casNumber "50-29-3" ;
dbo:formula "C14H9Cl5" ;
dbo:inchi "InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H" ;
dbo:iupacName "1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "3036"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YVGGHNCTFXOJCH-UHFFFAOYSA-N" ;
skos:altLabel "p,p’-ddt"@nl , "p,p'-ddt"@nl , "4,4'-dichloordifenyltrichloorethaan"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_50-29-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DDT" ;
skos:prefLabel "pp'dichloordifenyltrichloorethaan"@nl ;
vcs:vmmParameterId "263"^^xsd:int .
csc:WEEGYLXZBRQIMU-WAAGHKOSSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
dbo:casNumber "10458-11-4" , "8024-53-1" , "470-82-6" , "8024-52-0" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+" ;
dbo:iupacName "4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=WEEGYLXZBRQIMU-WAAGHKOSSA-N" ;
skos:broader csc:CHEMONTID_0002012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "18cinole" ;
skos:prefLabel "1,8-cineole"@nl .
csc:OROAFUQRIXKEMV-LDADJPATSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281037 ;
dbo:casNumber "133040-01-4" ;
dbo:formula "C23H24N2O4S" ;
dbo:inchi "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+" ;
dbo:iupacName "4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid"@en ;
dbo:pubchem "5281037"^^xsd:int ;
dbo:smiles "CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O" ;
dbp:inchikey "InChIKey=OROAFUQRIXKEMV-LDADJPATSA-N" ;
skos:broader csc:CHEMONTID_0002565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epstn" ;
skos:prefLabel "eprosartan"@nl .
csc:SAPGTCDSBGMXCD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91683 ;
dbo:casNumber "75872-04-7" , "109023-55-4" , "63284-71-9" ;
dbo:formula "C17H12ClFN2O" ;
dbo:inchi "InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H" ;
dbo:iupacName "(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "91683"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl" ;
dbp:inchikey "InChIKey=SAPGTCDSBGMXCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nuarml" ;
skos:prefLabel "nuarimol"@nl .
csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'"@nl , "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'"@nl , "VLAR III (D3, diverse art) 'Co'"@nl , "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'"@nl ;
rdfs:seeAlso compound:104730 ;
dbo:casNumber "16610-75-6" , "7440-48-4" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co" ;
dbo:iupacName "Cobalt"@en ;
dbo:pubchem "104730"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "kobalt (co)"@nl , "kobalt"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)"@nl ;
skos:exactMatch wise:CAS_7440-48-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co" ;
skos:prefLabel "Kobalt (Co)"@nl ;
vcs:vmmParameterId "161"^^xsd:int , "162"^^xsd:int , "1928"^^xsd:int , "160"^^xsd:int .
csc:CCEKAJIANROZEO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77797 ;
dbo:casNumber "4151-50-2" ;
dbo:formula "C10H6F17NO2S" ;
dbo:inchi "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3" ;
dbo:iupacName "N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide"@en ;
dbo:pubchem "77797"^^xsd:int ;
dbo:smiles "CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=CCEKAJIANROZEO-UHFFFAOYSA-N" ;
skos:altLabel "n-ethyl perfluoroctaansulfonamide"@nl , "n-ethylperfluor-n-octaansulfonamide (etpfosa)"@nl , "N-ethylperfluoroctaansulfonamide"@nl , "N-ethyl perfluoroctaansulfonamide"@nl , "n-ethylperfluoroctaan-1-sulfonamide (etpfosa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EtFOSA" ;
skos:prefLabel "n-ethylperfluor-n-octaansulfonamide"@nl .
csc:CHEMONTID_0000097
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000097 ;
skos:definition "Compounds containing a five-membered aromatic moiety made up of one sulfur atom and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000097" ;
skos:prefLabel "Thiophenes"@en .
csc:CHEMONTID_0000103
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000103 ;
skos:definition "Organic compounds containing a saturated three-member heterocycle with one amino group and two methylene groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OZDGMOYKSFPLSE-UHFFFAOYSA-N , csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000103" ;
skos:prefLabel "Aziridines"@en .
csc:XXROGKLTLUQVRX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7858 ;
dbo:casNumber "107-18-6" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2" ;
dbo:iupacName "prop-2-en-1-ol"@en ;
dbo:pubchem "7858"^^xsd:int ;
dbo:smiles "C=CCO" ;
dbp:inchikey "InChIKey=XXROGKLTLUQVRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allachl" ;
skos:prefLabel "allylalcohol"@nl .
csc:JHWNWJKBPDFINM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13690 ;
dbo:casNumber "947-04-6" , "25038-74-8" , "115296-76-9" , "125081-69-8" , "161865-23-2" , "148308-40-1" , "115296-77-0" , "70099-82-0" ;
dbo:formula "C12H23NO" ;
dbo:inchi "InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)" ;
dbo:iupacName "1-azacyclotridecan-2-one"@en ;
dbo:pubchem "13690"^^xsd:int ;
dbo:smiles "C1CCCCCC(=O)NCCCCC1" ;
dbp:inchikey "InChIKey=JHWNWJKBPDFINM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000064 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azccC13on2" ;
skos:prefLabel "azacyclotridecan-2-on"@nl .
csc:CHEMONTID_0002955
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002955 ;
skos:definition "Tetrahydrogenated isoquinoline derivatives."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FSVJFNAIGNNGKK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002955" ;
skos:prefLabel "Tetrahydroisoquinolines"@en .
csc:NTIZESTWPVYFNL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7909 ;
dbo:casNumber "108-10-1" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "4-Methylpentan-2-one"@en ;
dbo:pubchem "7909"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)C" ;
dbp:inchikey "InChIKey=NTIZESTWPVYFNL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:altLabel "4-methyl-2-pentanon (mibk)"@nl , "4-methyl-2-pentanon (MIBK)"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2C5on" ;
skos:prefLabel "4-methyl-2-pentanon"@nl .
csc:YTDHEFNWWHSXSU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18998 ;
dbo:casNumber "3481-20-7" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2" ;
dbo:iupacName "2,3,5,6-Tetrachloroaniline"@en ;
dbo:pubchem "18998"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl" ;
dbp:inchikey "InChIKey=YTDHEFNWWHSXSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2356T4ClAn" ;
skos:prefLabel "2,3,5,6-tetrachlooraniline"@nl .
csc:CHEMONTID_0001245
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001245 ;
skos:definition "Compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WNVCMFHPRIBNCW-HTQZYQBOSA-N , csc:GIUKJJMBQBRFTN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001245" ;
skos:prefLabel "Gamma butyrolactones"@en .
csc:CHEMONTID_0000018
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000018 ;
skos:definition "Organic compounds containing a system of three linearly fused benzene rings."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QSLMDECMDJKHMQ-UHFFFAOYSA-N , csc:OQDXASJSCOTNQS-UHFFFAOYSA-N , csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000018" ;
skos:prefLabel "Anthracenes"@en .
csc:CHEMONTID_0001871
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001871 ;
skos:definition "Compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001871" ;
skos:prefLabel "Naphthalenecarboxylic acids and derivatives"@en .
csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1988 ;
dbo:casNumber "34256-82-1" , "123113-74-6" ;
dbo:formula "C14H20ClNO2" ;
dbo:inchi "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" ;
dbo:iupacName "2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide"@en ;
dbo:pubchem "1988"^^xsd:int ;
dbo:smiles "CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C" ;
dbp:inchikey "InChIKey=VTNQPKFIQCLBDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_34256-82-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actCl" ;
skos:prefLabel "acetochloor"@nl ;
vcs:vmmParameterId "857"^^xsd:int .
csc:CHEMONTID_0004619
skos:narrower csc:YSMRWXYRXBRSND-UHFFFAOYSA-N , csc:XZZNDPSIHUTMOC-UHFFFAOYSA-N , csc:RMLPZKRPSQVRAB-UHFFFAOYSA-N , csc:CGSLYBDCEGBZCG-UHFFFAOYSA-N , csc:BOSMZFBHAYFUBJ-UHFFFAOYSA-N .
csc:QRTMTZAUGTXZOA-ZGYDFYMOSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282371 ;
dbo:casNumber "6153-64-6" ;
dbo:formula "C22H28N2O11" ;
dbo:inchi "InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;2*1H2/b20-11-;;/t12-,13-,14+,17+,21-,22+;;/m1../s1" ;
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate"@en ;
dbo:pubchem "5282371"^^xsd:int ;
dbo:smiles "CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.O.O" ;
dbp:inchikey "InChIKey=QRTMTZAUGTXZOA-ZGYDFYMOSA-N" ;
skos:broader csc:CHEMONTID_0000181 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxT4ccne" ;
skos:prefLabel "oxytetracycline"@nl .
csc:JSFUMBWFPQSADC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17190 ;
dbo:casNumber "2475-45-8" ;
dbo:formula "C14H12N4O2" ;
dbo:inchi "InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2" ;
dbo:iupacName "1,4,5,8-tetraaminoanthracene-9,10-dione"@en ;
dbo:pubchem "17190"^^xsd:int ;
dbo:smiles "C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N" ;
dbp:inchikey "InChIKey=JSFUMBWFPQSADC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1458T4Ao910a" ;
skos:prefLabel "1,4,5,8-tetraamino-9,10-anthrachinon"@nl .
csc:AFIIBUOYKYSPKB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3032472 ;
dbo:casNumber "4658-28-0" ;
dbo:formula "C7H11N7S" ;
dbo:inchi "InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)" ;
dbo:iupacName "4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine"@en ;
dbo:pubchem "3032472"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]" ;
dbp:inchikey "InChIKey=AFIIBUOYKYSPKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azptn" ;
skos:prefLabel "aziprotryn"@nl .
csc:NMBXMBCZBXUXAM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39966 ;
dbo:casNumber "51249-05-9" , "60327-85-7" ;
dbo:formula "C18H38NO3P" ;
dbo:inchi "InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3" ;
dbo:iupacName "N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine"@en ;
dbo:pubchem "39966"^^xsd:int ;
dbo:smiles "CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC" ;
dbp:inchikey "InChIKey=NMBXMBCZBXUXAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bumnfs" ;
skos:prefLabel "buminafos"@nl .
csc:GWXLDORMOJMVQZ-OUBTZVSYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104814 ;
dbo:casNumber "13967-74-3" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce/i1+1" ;
dbo:iupacName "cerium-141"@en ;
dbo:pubchem "104814"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "InChIKey=GWXLDORMOJMVQZ-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce141" ;
skos:prefLabel "cerium 141"@nl .
csc:QFOHBWFCKVYLES-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7184 ;
dbo:casNumber "94-26-8" , "8068-49-3" ;
dbo:formula "C11H14O3" ;
dbo:inchi "InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3" ;
dbo:iupacName "Butyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7184"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=QFOHBWFCKVYLES-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yprbn" ;
skos:prefLabel "butylparabeen"@nl .
csc:CHEMONTID_0002308
skos:narrower csc:BPRHUIZQVSMCRT-YXWZHEERSA-N .
csc:MWBPRDONLNQCFV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5543 ;
dbo:casNumber "2303-17-5" ;
dbo:formula "C10H16Cl3NOS" ;
dbo:inchi "InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3" ;
dbo:iupacName "S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate"@en ;
dbo:pubchem "5543"^^xsd:int ;
dbo:smiles "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MWBPRDONLNQCFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:exactMatch wise:CAS_2303-17-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Talt" ;
skos:prefLabel "triallaat"@nl ;
vcs:vmmParameterId "860"^^xsd:int .
csc:CHEMONTID_0000076
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000076 ;
skos:definition "Compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000076" ;
skos:prefLabel "Furans"@en .
csc:PUQIRTNPJRFRCZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62936 ;
dbo:casNumber "56392-14-4" ;
dbo:formula "C14H21NO4" ;
dbo:inchi "InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)" ;
dbo:iupacName "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid"@en ;
dbo:pubchem "62936"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O" ;
dbp:inchikey "InChIKey=PUQIRTNPJRFRCZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpllzr" ;
skos:prefLabel "metoprololzuur"@nl .
csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7850 ;
dbo:casNumber "107-05-1" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2" ;
dbo:iupacName "3-chloroprop-1-ene"@en ;
dbo:pubchem "7850"^^xsd:int ;
dbo:smiles "C=CCCl" ;
dbp:inchikey "InChIKey=OSDWBNJEKMUWAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_107-05-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClC3e" ;
skos:prefLabel "3-chloorpropeen"@nl ;
vcs:vmmParameterId "358"^^xsd:int .
csc:LGUZHRODIJCVOC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9553 ;
dbo:casNumber "335-57-9" , "156930-32-4" ;
dbo:formula "C7F16" ;
dbo:inchi "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23" ;
dbo:iupacName "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane"@en ;
dbo:pubchem "9553"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=LGUZHRODIJCVOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hexdcFC7a" ;
skos:prefLabel "hexadecafluorheptaan"@nl .
csc:XCEYKKJMLOFDSS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:70272 ;
dbo:casNumber "932-96-7" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3" ;
dbo:iupacName "4-Chloro-N-methylaniline"@en ;
dbo:pubchem "70272"^^xsd:int ;
dbo:smiles "CNC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=XCEYKKJMLOFDSS-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-N-methylaniline"@nl ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClNC1yAn" ;
skos:prefLabel "4-chloor-n-methylaniline"@nl .
csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3589 ;
dbo:casNumber "76-44-8" , "37229-06-4" , "23720-59-4" ;
dbo:formula "C10H5Cl7" ;
dbo:inchi "InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H" ;
dbo:iupacName "1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene"@en ;
dbo:pubchem "3589"^^xsd:int ;
dbo:smiles "C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FRCCEHPWNOQAEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_76-44-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HpCl" ;
skos:prefLabel "heptachloor"@nl ;
vcs:vmmParameterId "241"^^xsd:int .
csc:SBLPWPLKGFWLKK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43239 ;
dbo:casNumber "60238-56-4" ;
dbo:formula "C11H15Cl2O3PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-8-6-9(12)11(13)10(7-8)19-3/h6-7H,4-5H2,1-3H3" ;
dbo:iupacName "(3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "43239"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)Cl)SC" ;
dbp:inchikey "InChIKey=SBLPWPLKGFWLKK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltofs" ;
skos:prefLabel "chloorthiofos"@nl .
csc:CHEMONTID_0004677
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004677 ;
skos:definition "Aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FROBCXTULYFHEJ-UHFFFAOYSA-N , csc:OSUHJPCHFDQAIT-GFCCVEGCSA-N , csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N , csc:OSUHJPCHFDQAIT-UHFFFAOYSA-N , csc:VAIZTNZGPYBOGF-CYBMUJFWSA-N , csc:PQKBPHSEKWERTG-UHFFFAOYSA-N , csc:PQKBPHSEKWERTG-LLVKDONJSA-N , csc:JBDHZKLJNAIJNC-LLVKDONJSA-N , csc:MFSWTRQUCLNFOM-UHFFFAOYSA-N , csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004677" ;
skos:prefLabel "2-phenoxypropionic acid esters"@en .
csc:CAABRJFUDNBRJZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23827 ;
dbo:casNumber "7364-20-7" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3" ;
dbo:iupacName "Methyl 4-ethylbenzoate"@en ;
dbo:pubchem "23827"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(=O)OC" ;
dbp:inchikey "InChIKey=CAABRJFUDNBRJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2ybzezC1yE" ;
skos:prefLabel "4-ethylbenzoezuur methylester"@nl .
csc:MZHCENGPTKEIGP-RXMQYKEDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:119435 ;
dbo:casNumber "15165-67-0" ;
dbo:formula "C9H8Cl2O3" ;
dbo:inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1" ;
dbo:iupacName "(2R)-2-(2,4-dichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "119435"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=MZHCENGPTKEIGP-RXMQYKEDSA-N" ;
skos:altLabel "dichloorprop-p"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClppP" ;
skos:prefLabel "dichloorprop-P"@nl .
csc:RAOIDOHSFRTOEL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1127 ;
dbo:casNumber "110-01-0" ;
dbo:formula "C4H8S" ;
dbo:inchi "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2" ;
dbo:iupacName "Thiolane"@en ;
dbo:pubchem "1127"^^xsd:int ;
dbo:smiles "C1CCSC1" ;
dbp:inchikey "InChIKey=RAOIDOHSFRTOEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Htofn" ;
skos:prefLabel "tetrahydrothiofeen"@nl .
csc:UNFUYWDGSFDHCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10952 ;
dbo:casNumber "542-18-7" ;
dbo:formula "C6H11Cl" ;
dbo:inchi "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2" ;
dbo:iupacName "Chlorocyclohexane"@en ;
dbo:pubchem "10952"^^xsd:int ;
dbo:smiles "C1CCC(CC1)Cl" ;
dbp:inchikey "InChIKey=UNFUYWDGSFDHCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClccC6a" ;
skos:prefLabel "chloorcyclohexaan"@nl .
csc:CHEMONTID_0001850
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001850 ;
skos:definition "Compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LLMLGZUZTFMXSA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001850" ;
skos:prefLabel "Thiophenols"@en .
csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8821 ;
dbo:casNumber "153313-65-6" , "9003-32-1" , "140-88-5" , "169238-64-6" , "37199-30-7" , "116404-62-7" , "87605-70-7" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3" ;
dbo:iupacName "ethyl prop-2-enoate"@en ;
dbo:pubchem "8821"^^xsd:int ;
dbo:smiles "CCOC(=O)C=C" ;
dbp:inchikey "InChIKey=JIGUQPWFLRLWPJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_004 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yaclt" ;
skos:prefLabel "ethylacrylaat"@nl .
csc:TWXDDNPPQUTEOV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9306 ;
dbo:casNumber "4298-16-2" , "300-42-5" ;
dbo:formula "C10H16ClN" ;
dbo:inchi "InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H" ;
dbo:iupacName "N-methyl-1-phenylpropan-2-amine hydrochloride"@en ;
dbo:pubchem "9306"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC.Cl" ;
dbp:inchikey "InChIKey=TWXDDNPPQUTEOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "methafAeHCl" ;
skos:prefLabel "methamfetamine hydrochloride"@nl .
csc:IUZFQERQUZLNKQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:34322 ;
dbo:casNumber "28772-56-7" ;
dbo:formula "C30H23BrO4" ;
dbo:inchi "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one"@en ;
dbo:pubchem "34322"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(OC5=CC=CC=C5C4=O)O" ;
dbp:inchikey "InChIKey=IUZFQERQUZLNKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromdoln" ;
skos:prefLabel "bromadiolon"@nl .
csc:QQQYTWIFVNKMRW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37123 ;
dbo:casNumber "53026-03-2" , "104790-81-0" , "51026-04-1" , "66594-18-1" , "35367-38-5" ;
dbo:formula "C14H9ClF2N2O2" ;
dbo:inchi "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)" ;
dbo:iupacName "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "37123"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F" ;
dbp:inchikey "InChIKey=QQQYTWIFVNKMRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfbzrn" ;
skos:prefLabel "diflubenzuron"@nl .
csc:CHEMONTID_0000538
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000538 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VUVGYHUDAICLFK-UHFFFAOYSA-N , csc:JKQOBWVOAYFWKG-UHFFFAOYSA-N , csc:QPLDLSVMHZLSFG-UHFFFAOYSA-N , csc:XLOMVQKBTHCTTD-UHFFFAOYSA-N , csc:UQSXHKLRYXJYBZ-UHFFFAOYSA-N , csc:GWEVSGVZZGPLCZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000538" ;
skos:prefLabel "Transition metal oxides"@en .
csc:IZEKFCXSFNUWAM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3108 ;
dbo:casNumber "58-32-2" ;
dbo:formula "C24H40N8O4" ;
dbo:inchi "InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2" ;
dbo:iupacName "2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol"@en ;
dbo:pubchem "3108"^^xsd:int ;
dbo:smiles "C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO" ;
dbp:inchikey "InChIKey=IZEKFCXSFNUWAM-UHFFFAOYSA-N" ;
skos:altLabel "dipyramidol"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dpyrdml" ;
skos:prefLabel "dipyridamol"@nl .
csc:VLKZOEOYAKHREP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8058 ;
dbo:casNumber "68476-44-8" , "92112-69-1" , "110-54-3" , "8031-34-3" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Hexane"@en ;
dbo:pubchem "8058"^^xsd:int ;
dbo:smiles "CCCCCC" ;
dbp:inchikey "InChIKey=VLKZOEOYAKHREP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_011 , co:LUC_IV_006 ;
skos:altLabel "n-hexaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6a" ;
skos:prefLabel "hexaan"@nl .
csc:UGJMXCAKCUNAIE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3446 ;
dbo:casNumber "60142-96-3" ;
dbo:formula "C9H17NO2" ;
dbo:inchi "InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)" ;
dbo:iupacName "2-[1-(aminomethyl)cyclohexyl]acetic acid"@en ;
dbo:pubchem "3446"^^xsd:int ;
dbo:smiles "C1CCC(CC1)(CC(=O)O)CN" ;
dbp:inchikey "InChIKey=UGJMXCAKCUNAIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gabptne" ;
skos:prefLabel "gabapentine"@nl .
csc:CPELXLSAUQHCOX-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:259 ;
dbo:casNumber "24959-67-9" , "7726-95-6" ;
dbo:formula "Br-" ;
dbo:inchi "InChI=1S/BrH/h1H/p-1" ;
dbo:iupacName "bromide"@en ;
dbo:pubchem "259"^^xsd:int ;
dbo:smiles "[Br-]" ;
dbp:inchikey "InChIKey=CPELXLSAUQHCOX-UHFFFAOYSA-M" ;
skos:altLabel "bromide"@nl ;
skos:exactMatch wise:CAS_24959-67-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Br" , "Br2" ;
skos:prefLabel "dibroom"@nl ;
vcs:vmmParameterId "1802"^^xsd:int , "542"^^xsd:int .
csc:CHEMONTID_0000055
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000055 ;
skos:definition "Compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:URKOMYMAXPYINW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000055" ;
skos:prefLabel "Dibenzothiazepines"@en .
csc:CHEMONTID_0003031
skos:narrower csc:HNJBEVLQSNELDL-UHFFFAOYSA-N , csc:HAPOVYFOVVWLRS-UHFFFAOYSA-N .
csc:CHEMONTID_0002913
skos:narrower csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N .
csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3017 ;
dbo:casNumber "30583-38-1" , "333-41-5" , "65863-03-8" , "27936-40-9" ;
dbo:formula "C12H21N2O3PS" ;
dbo:inchi "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3" ;
dbo:iupacName "diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "3017"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C" ;
dbp:inchikey "InChIKey=FHIVAFMUCKRCQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:exactMatch wise:CAS_333-41-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Daznn" ;
skos:prefLabel "diazinon"@nl ;
vcs:vmmParameterId "676"^^xsd:int .
csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2566 ;
dbo:casNumber "1563-66-2" ;
dbo:formula "C12H15NO3" ;
dbo:inchi "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)" ;
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "2566"^^xsd:int ;
dbo:smiles "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C" ;
dbp:inchikey "InChIKey=DUEPRVBVGDRKAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfrn" ;
skos:prefLabel "carbofuran"@nl .
csc:UBUCNCOMADRQHX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6838 ;
dbo:casNumber "86-30-6" ;
dbo:formula "C12H10N2O" ;
dbo:inchi "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "N,N-di(phenyl)nitrous amide"@en ;
dbo:pubchem "6838"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O" ;
dbp:inchikey "InChIKey=UBUCNCOMADRQHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyNOAe" ;
skos:prefLabel "difenylnitrosamine"@nl .
csc:OJOWICOBYCXEKR-KRXBUXKQSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5365543 ;
dbo:casNumber "16219-75-3" , "59006-74-5" , "62181-74-2" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+" ;
dbo:iupacName "['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene']"@en ;
dbo:pubchem "5365543"^^xsd:int ;
dbo:smiles "CC=C1CC2CC1C=C2" ;
dbp:inchikey "InChIKey=OJOWICOBYCXEKR-KRXBUXKQSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C2yid2nbnn" ;
skos:prefLabel "5-ethylideen-2-norborneen"@nl .
csc:CHEMONTID_0002345
skos:narrower csc:JDRFUUBRGGDEIZ-UHFFFAOYSA-N , csc:IWEDIXLBFLAXBO-UHFFFAOYSA-N .
csc:HUKPVYBUJRAUAG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6697 ;
dbo:casNumber "82-05-3" , "57608-35-2" , "116495-96-6" ;
dbo:formula "C17H10O" ;
dbo:inchi "InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H" ;
dbo:iupacName "benzo[a]phenalen-7-one"@en ;
dbo:pubchem "6697"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O" ;
dbp:inchikey "InChIKey=HUKPVYBUJRAUAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Benztn" ;
skos:prefLabel "benzanthron"@nl .
csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91773 ;
dbo:casNumber "142583-69-5" , "112410-23-8" ;
dbo:formula "C22H28N2O2" ;
dbo:inchi "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" ;
dbo:iupacName "N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide"@en ;
dbo:pubchem "91773"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C" ;
dbp:inchikey "InChIKey=QYPNKSZPJQQLRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebfnzde" ;
skos:prefLabel "tebufenozide"@nl .
csc:VUTHWSUXEOILTN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26449 ;
dbo:casNumber "14086-35-2" ;
dbo:formula "C10H15O6PS" ;
dbo:inchi "InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3" ;
dbo:iupacName "dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate"@en ;
dbo:pubchem "26449"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=VUTHWSUXEOILTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentoOosfn" ;
skos:prefLabel "fenthion-oxon-sulfon"@nl .
csc:BACHBFVBHLGWSL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:39985 ;
dbo:casNumber "75045-48-6" , "51142-56-4" , "51338-27-3" ;
dbo:formula "C16H14Cl2O4" ;
dbo:inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3" ;
dbo:iupacName "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate"@en ;
dbo:pubchem "39985"^^xsd:int ;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=BACHBFVBHLGWSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DcfC1y" ;
skos:prefLabel "diclofop-methyl"@nl .
csc:GVJHHUAWPYXKBD-IEOSBIPESA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14985 ;
dbo:casNumber "10191-41-0" , "4072-33-7" , "59-02-9" , "1406-18-4" , "16826-11-2" , "25094-97-7" , "181591-70-8" , "11105-14-9" ;
dbo:formula "C29H50O2" ;
dbo:inchi "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1" ;
dbo:iupacName "(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL"@en ;
dbo:pubchem "14985"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C" ;
dbp:inchikey "InChIKey=GVJHHUAWPYXKBD-IEOSBIPESA-N" ;
skos:altLabel "alfa-tocoferol (Vitamine E)"@nl ;
skos:broader csc:CHEMONTID_0000201 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atcfrl" ;
skos:prefLabel "alfa-tocoferol (vitamine e)"@nl .
csc:CHEMONTID_0000517
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000517 ;
skos:definition "Compounds containing two amine groups joined by a carbonyl (C=O) functional group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SLSSBKMDWYZIRQ-UHFFFAOYSA-N , csc:DQZCVNGCTZLGAQ-UHFFFAOYSA-N , csc:ADFXKUOMJKEIND-UHFFFAOYSA-N , csc:WSABLXKFAPKFSO-UHFFFAOYSA-N , csc:AVQQQNCBBIEMEU-UHFFFAOYSA-N , csc:XSQUKJJJFZCRTK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000517" ;
skos:prefLabel "Ureas"@en .
csc:CHEMONTID_0003487
skos:narrower csc:YKFKEYKJGVSEIX-UHFFFAOYSA-N , csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N , csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N , csc:OACYKCIZDVVNJL-UHFFFAOYSA-N , csc:LFSAPCRASZRSKS-UHFFFAOYSA-N , csc:JJDFVIDVSCYKDS-UHFFFAOYSA-N , csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N .
csc:AOJJSUZBOXZQNB-TZSSRYMLSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31703 ;
dbo:casNumber "23214-92-8" , "23257-17-2" , "29042-30-6" , "25311-50-6" , "24385-08-8" ;
dbo:formula "C27H29NO11" ;
dbo:inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1" ;
dbo:iupacName "(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"@en ;
dbo:pubchem "31703"^^xsd:int ;
dbo:smiles "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O" ;
dbp:inchikey "InChIKey=AOJJSUZBOXZQNB-TZSSRYMLSA-N" ;
skos:broader csc:CHEMONTID_0002106 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doxrbcne" ;
skos:prefLabel "doxorubicine"@nl .
csc:KZWPFFFDRDASOU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15997 ;
dbo:casNumber "1320-18-9" , "1928-45-6" ;
dbo:formula "C15H20Cl2O4" ;
dbo:inchi "InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3" ;
dbo:iupacName "3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "15997"^^xsd:int ;
dbo:smiles "CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=KZWPFFFDRDASOU-UHFFFAOYSA-N" ;
skos:altLabel "2,4-d propyleen glycol butyl ether ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC3yegC4yE" ;
skos:prefLabel "2,4-D propyleen glycol butyl ether ester"@nl .
csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'CO'"@nl , "VLAR II (D2) 'koolmonoxide'"@nl , "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'"@nl , "VLAR II bijl. 4.4.2 'koolstofmonoxide'"@nl ;
rdfs:seeAlso compound:281 ;
dbo:casNumber "18421-60-8" , "192819-80-0" , "162342-48-5" , "167416-30-0" , "630-08-0" , "153929-54-5" , "82063-46-5" , "155399-52-3" ;
dbo:formula "CO" ;
dbo:inchi "InChI=1S/CO/c1-2" ;
dbo:iupacName "carbon monoxide"@en ;
dbo:pubchem "281"^^xsd:int ;
dbo:smiles "[C-]#[O+]" ;
dbp:inchikey "InChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "koolstofmonoxide (CO)"@nl , "koolmonoxide"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CMO" ;
skos:prefLabel "koolstofmonoxide (co)"@nl .
csc:CHEMONTID_0004152
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004152 ;
skos:definition "Organic compounds containing a pyridine ring substituted at one or more positions by a methyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BWZVCCNYKMEVEX-UHFFFAOYSA-N , csc:NURQLCJSMXZBPC-UHFFFAOYSA-N , csc:HPYNZHMRTTWQTB-UHFFFAOYSA-N , csc:ITQTTZVARXURQS-UHFFFAOYSA-N , csc:HWWYDZCSSYKIAD-UHFFFAOYSA-N , csc:OISVCGZHLKNMSJ-UHFFFAOYSA-N , csc:JYYNAJVZFGKDEQ-UHFFFAOYSA-N , csc:NTSLROIKFLNUIJ-UHFFFAOYSA-N , csc:BSKHPKMHTQYZBB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004152" ;
skos:prefLabel "Methylpyridines"@en .
csc:BTZVKSVLFLRBRE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:51132 ;
dbo:casNumber "70657-70-4" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methoxypropyl acetate"@en ;
dbo:pubchem "51132"^^xsd:int ;
dbo:smiles "CC(COC(=O)C)OC" ;
dbp:inchikey "InChIKey=BTZVKSVLFLRBRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1oxC3yactt" ;
skos:prefLabel "2-methoxypropylacetaat"@nl .
csc:NBQCNZYJJMBDKY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22188 ;
dbo:casNumber "5902-51-2" ;
dbo:formula "C9H13ClN2O2" ;
dbo:inchi "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)" ;
dbo:iupacName "3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "22188"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl" ;
dbp:inchikey "InChIKey=NBQCNZYJJMBDKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbcl" ;
skos:prefLabel "terbacil"@nl .
csc:AEMFNILZOJDQLW-QAGGRKNESA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6128 ;
dbo:casNumber "117598-81-9" , "104534-78-3" , "63-05-8" ;
dbo:formula "C19H26O2" ;
dbo:inchi "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione"@en ;
dbo:pubchem "6128"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C" ;
dbp:inchikey "InChIKey=AEMFNILZOJDQLW-QAGGRKNESA-N" ;
skos:broader csc:CHEMONTID_0001467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "andtdn" ;
skos:prefLabel "androsteendion"@nl .
csc:XXPRRHYTDCWGRP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72384 ;
dbo:casNumber "41506-14-3" , "27177-05-5" ;
dbo:formula "C31H56O9" ;
dbo:inchi "InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "72384"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCO" ;
dbp:inchikey "InChIKey=XXPRRHYTDCWGRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO8" ;
skos:prefLabel "nonylfenoloctaethoxylaat"@nl .
csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14210 ;
dbo:casNumber "1113-02-6" ;
dbo:formula "C5H12NO4PS" ;
dbo:inchi "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)" ;
dbo:iupacName "2-dimethoxyphosphorylsulfanyl-N-methylacetamide"@en ;
dbo:pubchem "14210"^^xsd:int ;
dbo:smiles "CNC(=O)CSP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=PZXOQEXFMJCDPG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001663 ;
skos:exactMatch wise:CAS_1113-02-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "omtat" ;
skos:prefLabel "omethoaat"@nl ;
vcs:vmmParameterId "403"^^xsd:int .
csc:CHEMONTID_0002950
skos:narrower csc:XEZVDURJDFGERA-UHFFFAOYSA-N , csc:UKMSUNONTOPOIO-UHFFFAOYSA-N , csc:QZZGJDVWLFXDLK-UHFFFAOYSA-N , csc:MBMBGCFOFBJSGT-KUBAVDMBSA-N , csc:HVGRZDASOHMCSK-AVQMFFATSA-N , csc:GWHCXVQVJPWHRF-KTKRTIGZSA-N , csc:DPUOLQHDNGRHBS-KTKRTIGZSA-N .
csc:AHOUBRCZNHFOSL-YOEHRIQHSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:43815 ;
dbo:casNumber "110429-35-1" , "61869-08-7" , "63952-24-9" ;
dbo:formula "C19H20FNO3" ;
dbo:inchi "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1" ;
dbo:iupacName "(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine"@en ;
dbo:pubchem "43815"^^xsd:int ;
dbo:smiles "C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4" ;
dbp:inchikey "InChIKey=AHOUBRCZNHFOSL-YOEHRIQHSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroetne" ;
skos:prefLabel "paroxetine"@nl .
csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:674 ;
dbo:casNumber "124-40-3" ;
dbo:formula "C2H7N" ;
dbo:inchi "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" ;
dbo:iupacName "N-Methylmethanamine"@en ;
dbo:pubchem "674"^^xsd:int ;
dbo:smiles "CNC" ;
dbp:inchikey "InChIKey=ROSDSFDQCJNGOL-UHFFFAOYSA-N" ;
skos:altLabel "dimethylamine "@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:exactMatch wise:CAS_124-40-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAe" ;
skos:prefLabel "dimethylamine"@nl ;
vcs:vmmParameterId "497"^^xsd:int .
csc:DECPGQLXYYCNEZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:90714 ;
dbo:casNumber "5406-92-8" , "51845-93-3" , "25103-12-2" ;
dbo:formula "C24H51O3P" ;
dbo:inchi "InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3" ;
dbo:iupacName "tris(6-methylheptyl) phosphite"@en ;
dbo:pubchem "90714"^^xsd:int ;
dbo:smiles "CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C" ;
dbp:inchikey "InChIKey=DECPGQLXYYCNEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC8yPO4" ;
skos:prefLabel "trioctylfosfaat"@nl .
csc:CHEMONTID_0002239
skos:narrower csc:ZMANZCXQSJIPKH-UHFFFAOYSA-N , csc:YWFWDNVOPHGWMX-UHFFFAOYSA-N , csc:YFTHZRPMJXBUME-UHFFFAOYSA-N , csc:SZYJELPVAFJOGJ-UHFFFAOYSA-N , csc:ORSUTASIQKBEFU-UHFFFAOYSA-N , csc:NYNKJVPRTLBJNQ-UHFFFAOYSA-N , csc:MKIMSXGUTQTKJU-UHFFFAOYSA-N , csc:IMFACGCPASFAPR-UHFFFAOYSA-N , csc:GETQZCLCWQTVFV-UHFFFAOYSA-N .
csc:CHEMONTID_0000013
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000013 ;
skos:definition "Organic compounds containing an amino acid or a peptide backbone, or derivatives thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000013" ;
skos:prefLabel "Amino acids, peptides, and analogues"@en .
csc:QILSFLSDHQAZET-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7037 ;
dbo:casNumber "91-01-0" ;
dbo:formula "C13H12O" ;
dbo:inchi "InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H" ;
dbo:iupacName "di(phenyl)methanol"@en ;
dbo:pubchem "7037"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)O" ;
dbp:inchikey "InChIKey=QILSFLSDHQAZET-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aFyBenC1ol" ;
skos:prefLabel "alfa-fenylbenzeenmethanol"@nl .
csc:PPDBOQMNKNNODG-ZROIWOOFSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436449 ;
dbo:casNumber "131983-72-7" ;
dbo:formula "C17H20ClN3O" ;
dbo:inchi "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-" ;
dbo:iupacName "(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "6436449"^^xsd:int ;
dbo:smiles "CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C" ;
dbp:inchikey "InChIKey=PPDBOQMNKNNODG-ZROIWOOFSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ttcnzl" ;
skos:prefLabel "triticonazool"@nl .
csc:CHEMONTID_0002865
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002865 ;
skos:definition "Organic compounds with the general structure RC(=O)X, where X is a halogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002865" ;
skos:prefLabel "Acyl halides"@en .
csc:AMEKQAFGQBKLKX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21330 ;
dbo:casNumber "5259-88-1" ;
dbo:formula "C12H13NO4S" ;
dbo:inchi "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" ;
dbo:iupacName "2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide"@en ;
dbo:pubchem "21330"^^xsd:int ;
dbo:smiles "CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=AMEKQAFGQBKLKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxcbOxn" ;
skos:prefLabel "oxycarboxin"@nl .
csc:XUAWBXBYHDRROL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:38306 ;
dbo:casNumber "39635-31-9" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "38306"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=XUAWBXBYHDRROL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 189"@nl , "pcb 189"@nl , "2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_39635-31-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB189" ;
skos:prefLabel "2,3,3',4,4',5,5 '-heptachlorobifenyl"@nl ;
vcs:vmmParameterId "1377"^^xsd:int .
csc:WGQKYBSKWIADBV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7504 ;
dbo:casNumber "100-46-9" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2" ;
dbo:iupacName "phenylmethanamine"@en ;
dbo:pubchem "7504"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CN" ;
dbp:inchikey "InChIKey=WGQKYBSKWIADBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzAe" ;
skos:prefLabel "benzylamine"@nl .
csc:VWQVUPCCIRVNHF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23993 ;
dbo:casNumber "27151-36-6" , "7440-65-5" , "110123-45-0" ;
dbo:formula "Y" ;
dbo:inchi "InChI=1S/Y" ;
dbo:iupacName "YTTRIUM"@en ;
dbo:pubchem "23993"^^xsd:int ;
dbo:smiles "[Y]" ;
dbp:inchikey "InChIKey=VWQVUPCCIRVNHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Y" ;
skos:prefLabel "yttrium"@nl .
csc:PCKNFPQPGUWFHO-UQRQXUALSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6537963 ;
dbo:casNumber "113036-88-7" ;
dbo:formula "C25H20ClF2N3O3" ;
dbo:inchi "InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+" ;
dbo:iupacName "N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "6537963"^^xsd:int ;
dbo:smiles "C1CC1C(=NOCC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)Cl" ;
dbp:inchikey "InChIKey=PCKNFPQPGUWFHO-UQRQXUALSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluccxrn" ;
skos:prefLabel "flucycloxuron"@nl .
csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:1032 ;
dbo:casNumber "784139-72-6" , "3349-08-4" , "68990-37-4" , "68937-68-8" , "79-09-4" ;
dbo:formula "C3H6O2" ;
dbo:inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" ;
dbo:iupacName "Propanoic acid"@en ;
dbo:pubchem "1032"^^xsd:int ;
dbo:smiles "CCC(=O)O" ;
dbp:inchikey "InChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N" ;
skos:altLabel "propionzuur "@nl ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propozr" ;
skos:prefLabel "propionzuur"@nl .
csc:DMQQXDPCRUGSQB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80296 ;
dbo:casNumber "161122-34-5" , "1939-36-2" ;
dbo:formula "C11H18N2O8" ;
dbo:inchi "InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)" ;
dbo:iupacName "2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid"@en ;
dbo:pubchem "80296"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O" ;
dbp:inchikey "InChIKey=DMQQXDPCRUGSQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13C3yeDAeT4H" ;
skos:prefLabel "1,3-propyleendiaminetatraazijnzuur"@nl .
csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II (D2) 'cadmium'"@nl , "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'"@nl , "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'"@nl , "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'"@nl , "VLAR III (D3, diverse art) 'Cd'"@nl , "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)"@nl , "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'"@nl ;
rdfs:seeAlso compound:31193 ;
dbo:casNumber "7440-43-9" , "22537-48-0" ;
dbo:formula "Cd+2" ;
dbo:inchi "InChI=1S/Cd/q+2" ;
dbo:iupacName "cadmium(+2) cation"@en ;
dbo:pubchem "31193"^^xsd:int ;
dbo:smiles "[Cd+2]" ;
dbp:inchikey "InChIKey=WLZRMCYVCSSEQC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "cadmium (m)"@nl , "cadmium, opgelost"@nl , "cadmium"@nl , "Cadmium (Cd)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)"@nl ;
skos:exactMatch wise:CAS_7440-43-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cd" ;
skos:prefLabel "cadmium (cd)"@nl ;
vcs:vmmParameterId "148"^^xsd:int , "149"^^xsd:int , "147"^^xsd:int , "1926"^^xsd:int .
csc:STNSYZSNIYTNMI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:162806 ;
dbo:casNumber "1429-50-1" , "57011-27-5" ;
dbo:formula "C6H23N3O12P4" ;
dbo:inchi "InChI=1S/C6H20N2O12P4.H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3" ;
dbo:iupacName "azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid"@en ;
dbo:pubchem "162806"^^xsd:int ;
dbo:smiles "C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.N" ;
dbp:inchikey "InChIKey=STNSYZSNIYTNMI-UHFFFAOYSA-N" ;
skos:altLabel "ethyleendiamine tetra(methyleen fosfonzuur) (EDTMP)"@nl ;
skos:broader csc:CHEMONTID_0001302 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EDTMP" ;
skos:prefLabel "ethyleendiamine tetra(methyleen fosfonzuur) (edtmp)"@nl .
csc:FKNQFGJONOIPTF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:923 ;
dbo:casNumber "7440-23-5" , "17341-25-2" ;
dbo:formula "Na+" ;
dbo:inchi "InChI=1S/Na/q+1" ;
dbo:iupacName "sodium(+1) cation"@en ;
dbo:pubchem "923"^^xsd:int ;
dbo:smiles "[Na+]" ;
dbp:inchikey "InChIKey=FKNQFGJONOIPTF-UHFFFAOYSA-N" ;
skos:altLabel "natrium, éénwaardig"@nl ;
skos:broader csc:CHEMONTID_0000425 ;
skos:exactMatch wise:CAS_7440-23-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na" ;
skos:prefLabel "natrium"@nl ;
vcs:vmmParameterId "987"^^xsd:int , "1950"^^xsd:int , "1260"^^xsd:int , "743"^^xsd:int .
csc:OKISUZLXOYGIFP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7034 ;
dbo:casNumber "90-98-2" ;
dbo:formula "C13H8Cl2O" ;
dbo:inchi "InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H" ;
dbo:iupacName "bis(4-chlorophenyl)methanone"@en ;
dbo:pubchem "7034"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=OKISUZLXOYGIFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DClbzfnn" ;
skos:prefLabel "4,4'-dichloorbenzofenon"@nl .
csc:CHEMONTID_0000554
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000554 ;
skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CBENFWSGALASAD-UHFFFAOYSA-N , csc:CURLTUGMZLYLDI-UHFFFAOYSA-N , csc:GSWAOPJLTADLTN-UHFFFAOYSA-N , csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N , csc:RAHZWNYVWXNFOC-UHFFFAOYSA-N , csc:IIACRCGMVDHOTQ-UHFFFAOYSA-N , csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N , csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N , csc:AKEJUJNQAAGONA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000554" ;
skos:prefLabel "Other non-metal oxides"@en .
csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13526 ;
dbo:casNumber "919-86-8" ;
dbo:formula "C6H15O3PS2" ;
dbo:inchi "InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane"@en ;
dbo:pubchem "13526"^^xsd:int ;
dbo:smiles "CCSCCSP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=WEBQKRLKWNIYKK-UHFFFAOYSA-N" ;
skos:altLabel "demeton-s-methyl"@nl ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_919-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtSC1y" ;
skos:prefLabel "demeton-S-methyl"@nl ;
vcs:vmmParameterId "804"^^xsd:int .
csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11660 ;
dbo:casNumber "594-20-7" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3" ;
dbo:iupacName "2,2-DICHLOROPROPANE"@en ;
dbo:pubchem "11660"^^xsd:int ;
dbo:smiles "CC(C)(Cl)Cl" ;
dbp:inchikey "InChIKey=ZEOVXNVKXIPWMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_594-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClC3a" ;
skos:prefLabel "2,2-dichloorpropaan"@nl ;
vcs:vmmParameterId "534"^^xsd:int .
csc:CHEMONTID_0000469
skos:narrower csc:MHZGKXUYDGKKIU-UHFFFAOYSA-N , csc:VVJKKWFAADXIJK-UHFFFAOYSA-N , csc:BHRZNVHARXXAHW-UHFFFAOYSA-N , csc:NQMRYBIKMRVZLB-UHFFFAOYSA-N , csc:KIDHWZJUCRJVML-UHFFFAOYSA-N , csc:BAVYZALUXZFZLV-UHFFFAOYSA-N , csc:VHRGRCVQAFMJIZ-UHFFFAOYSA-N , csc:KDSNLYIMUZNERS-UHFFFAOYSA-N , csc:WGYKZJWCGVVSQN-UHFFFAOYSA-N , csc:PIICEJLVQHRZGT-UHFFFAOYSA-N , csc:HQABUPZFAYXKJW-UHFFFAOYSA-N , csc:DPBLXKKOBLCELK-UHFFFAOYSA-N , csc:YBRBMKDOPFTVDT-UHFFFAOYSA-N , csc:IOQPZZOEVPZRBK-UHFFFAOYSA-N , csc:JJWLVOIRVHMVIS-UHFFFAOYSA-N , csc:QUSNBJAOOMFDIB-UHFFFAOYSA-N , csc:BUGYDGFZZOZRHP-UHFFFAOYSA-N , csc:DKNWSYNQZKUICI-UHFFFAOYSA-N .
csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3286 ;
dbo:casNumber "563-12-2" ;
dbo:formula "C9H22O4P2S4" ;
dbo:inchi "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3" ;
dbo:iupacName "diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "3286"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSP(=S)(OCC)OCC" ;
dbp:inchikey "InChIKey=RIZMRRKBZQXFOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_563-12-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "eton" ;
skos:prefLabel "ethion"@nl ;
vcs:vmmParameterId "734"^^xsd:int .
csc:OGRAOKJKVGDSFR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12769 ;
dbo:casNumber "697-82-5" , "70969-66-3" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3" ;
dbo:iupacName "2,3,5-Trimethylphenol"@en ;
dbo:pubchem "12769"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)O)C)C" ;
dbp:inchikey "InChIKey=OGRAOKJKVGDSFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TC1yFol" ;
skos:prefLabel "2,3,5-trimethylfenol"@nl .
csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7967 ;
dbo:casNumber "9075-99-4" , "108-94-1" , "9003-41-2" , "11119-77-0" ;
dbo:formula "C6H10O" ;
dbo:inchi "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2" ;
dbo:iupacName "Cyclohexanone"@en ;
dbo:pubchem "7967"^^xsd:int ;
dbo:smiles "C1CCC(=O)CC1" ;
dbp:inchikey "InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6on" ;
skos:prefLabel "cyclohexanon"@nl .
csc:DFCAFRGABIXSDS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14337 ;
dbo:casNumber "1134-23-2" , "71330-39-7" ;
dbo:formula "C11H21NOS" ;
dbo:inchi "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3" ;
dbo:iupacName "S-ethyl (cyclohexyl-ethylamino)methanethioate"@en ;
dbo:pubchem "14337"^^xsd:int ;
dbo:smiles "CCN(C1CCCCC1)C(=O)SCC" ;
dbp:inchikey "InChIKey=DFCAFRGABIXSDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycat" ;
skos:prefLabel "cycloaat"@nl .
csc:HLZKNKRTKFSKGZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8209 ;
dbo:casNumber "68002-95-9" , "67762-42-9" , "179607-28-4" , "52439-75-5" , "126339-60-4" , "67762-30-5" , "112-72-1" , "126339-59-1" , "71750-71-5" , "8032-14-2" , "68333-80-2" , "67762-41-8" , "75782-87-5" , "63393-82-8" , "68855-56-1" , "150138-88-8" , "60650-34-2" ;
dbo:formula "C14H30O" ;
dbo:inchi "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3" ;
dbo:iupacName "tetradecan-1-ol"@en ;
dbo:pubchem "8209"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCO" ;
dbp:inchikey "InChIKey=HLZKNKRTKFSKGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C14ol" ;
skos:prefLabel "1-tetradecanol"@nl .
csc:LSHROXHEILXKHM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19990 ;
dbo:casNumber "778592-37-3" , "4067-16-7" ;
dbo:formula "C10H28N6" ;
dbo:inchi "InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2" ;
dbo:iupacName "N,N'-bis[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine"@en ;
dbo:pubchem "19990"^^xsd:int ;
dbo:smiles "C(CNCCNCCNCCNCCN)N" ;
dbp:inchikey "InChIKey=LSHROXHEILXKHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeC2yHxAe" ;
skos:prefLabel "pentaethyleenhexamine"@nl .
csc:QWDQYHPOSSHSAW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66988 ;
dbo:casNumber "112-96-9" , "156520-08-0" ;
dbo:formula "C19H37NO" ;
dbo:inchi "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3" ;
dbo:iupacName "1-Isocyanatooctadecane"@en ;
dbo:pubchem "66988"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCN=C=O" ;
dbp:inchikey "InChIKey=QWDQYHPOSSHSAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1iCNC18a" ;
skos:prefLabel "1-isocyanaat-octadecaan"@nl .
csc:CZMRCDWAGMRECN-UGDNZRGBSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5988 ;
dbo:casNumber "86101-30-6" , "100405-08-1" , "25702-74-3" , "146054-35-5" , "80165-03-3" , "78654-77-0" , "104242-10-6" , "29764-06-5" , "64533-66-0" , "30027-72-6" , "50857-68-6" , "8030-20-4" , "85456-51-5" , "8027-47-2" , "87430-66-8" , "9012-95-7" , "92004-84-7" , "146187-04-4" , "51909-69-4" , "131932-12-2" , "47167-52-2" , "29253-78-9" , "220376-22-7" , "47257-91-0" , "65545-99-5" , "75398-84-4" , "57-50-1" , "76056-38-7" , "47185-09-1" , "151756-02-4" ;
dbo:formula "C12H22O11" ;
dbo:inchi "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" ;
dbo:iupacName "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en ;
dbo:pubchem "5988"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O" ;
dbp:inchikey "InChIKey=CZMRCDWAGMRECN-UGDNZRGBSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "saccrse" ;
skos:prefLabel "saccharose"@nl .
csc:PCCSBWNGDMYFCW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213032 ;
dbo:casNumber "131807-57-3" ;
dbo:formula "C22H18N2O4" ;
dbo:inchi "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3" ;
dbo:iupacName "5-methyl-5-[4-(phenoxy)phenyl]-3-(phenylamino)-1,3-oxazolidine-2,4-dione"@en ;
dbo:pubchem "213032"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4" ;
dbp:inchikey "InChIKey=PCCSBWNGDMYFCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "famxdne" ;
skos:prefLabel "famoxadone"@nl .
csc:OTPSWLRZXRHDNX-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26041 ;
dbo:casNumber "51148-10-8" , "35430-20-7" , "109702-19-4" , "55172-61-7" , "16782-00-6" , "51406-57-6" , "31089-48-2" , "13463-41-7" , "3138-01-0" , "14376-32-0" , "17652-47-0" , "1320-68-9" , "39412-61-8" , "1192-70-7" , "3590-23-6" , "226883-65-4" , "74261-71-5" , "208398-70-3" , "118480-78-7" , "15686-64-3" , "244778-79-8" , "192458-89-2" , "162400-43-3" ;
dbo:formula "C10H8N2O2S2Zn" ;
dbo:inchi "InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2" ;
dbo:iupacName "zinc 1-oxidopyridin-1-ium-2-thiolate"@en ;
dbo:pubchem "26041"^^xsd:int ;
dbo:smiles "C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]" ;
dbp:inchikey "InChIKey=OTPSWLRZXRHDNX-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Znprton" ;
skos:prefLabel "zinkpyrithion"@nl .
csc:VGGSQFUCUMXWEO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6325 ;
dbo:casNumber "87701-64-2" , "68037-39-8" , "74-85-1" , "9002-88-4" , "33060-30-9" , "87701-65-3" ;
dbo:formula "C2H4" ;
dbo:inchi "InChI=1S/C2H4/c1-2/h1-2H2" ;
dbo:iupacName "Ethene"@en ;
dbo:pubchem "6325"^^xsd:int ;
dbo:smiles "C=C" ;
dbp:inchikey "InChIKey=VGGSQFUCUMXWEO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2e" ;
skos:prefLabel "etheen"@nl .
csc:QARVLSVVCXYDNA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7961 ;
dbo:casNumber "108-86-1" ;
dbo:formula "C6H5Br" ;
dbo:inchi "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Bromobenzene"@en ;
dbo:pubchem "7961"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)Br" ;
dbp:inchikey "InChIKey=QARVLSVVCXYDNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:exactMatch wise:CAS_108-86-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrBen" ;
skos:prefLabel "broombenzeen"@nl ;
vcs:vmmParameterId "546"^^xsd:int .
csc:CHEMONTID_0000050
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000050 ;
skos:definition "Cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PAPBSGBWRJIAAV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000050" ;
skos:prefLabel "Lactones"@en .
csc:NZUPFZNVGSWLQC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:103634 ;
dbo:casNumber "52434-90-9" ;
dbo:formula "C12H15Br6N3O3" ;
dbo:inchi "InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2" ;
dbo:iupacName "1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "103634"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br" ;
dbp:inchikey "InChIKey=NZUPFZNVGSWLQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tris(dibroompropyl)isocyanuraat"@nl .
csc:GOHBXWHNJHENRX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19427 ;
dbo:casNumber "3697-24-3" ;
dbo:formula "C19H14" ;
dbo:inchi "InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3" ;
dbo:iupacName "5-METHYLCHRYSENE"@en ;
dbo:pubchem "19427"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3" ;
dbp:inchikey "InChIKey=GOHBXWHNJHENRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001142 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yChr" ;
skos:prefLabel "5-methylchryseen"@nl .
csc:CHEMONTID_0001675
skos:narrower csc:ZDRBJJNXJOSCLR-YZKQBBCCSA-N , csc:UCSJYZPVAKXKNQ-HZYVHMACSA-N , csc:RQOIAWYOVOXMST-UHFFFAOYSA-N , csc:CEAZRRDELHUEMR-UHFFFAOYSA-N , csc:ASXBYYWOLISCLQ-ZCTIVXDHSA-N .
csc:CJIASZBWXIFQMU-ZVXOBQGSSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6442262 ;
dbo:casNumber "157622-02-1" ;
dbo:formula "C54H72N8O12" ;
dbo:inchi "InChI=1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+" ;
dbo:iupacName "15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6442262"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CNC3=CC=CC=C32)C=CC(=CC(C)C(CC4=CC=CC=C4)OC)C" ;
dbp:inchikey "InChIKey=CJIASZBWXIFQMU-ZVXOBQGSSA-N" ;
skos:altLabel "microcystine-lw"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LW" ;
skos:prefLabel "microcystine-LW"@nl .
csc:SRJQTHAZUNRMPR-UYQKXTDMSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:443059 ;
dbo:casNumber "131929-60-7" ;
dbo:formula "C41H65NO10" ;
dbo:inchi "InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1" ;
dbo:iupacName "(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione"@en ;
dbo:pubchem "443059"^^xsd:int ;
dbo:smiles "CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C" ;
dbp:inchikey "InChIKey=SRJQTHAZUNRMPR-UYQKXTDMSA-N" ;
skos:altLabel "spinosyna"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spinsnA" ;
skos:prefLabel "spinosynA"@nl .
csc:PODWXQQNRWNDGD-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61475 ;
dbo:casNumber "10102-17-7" , "7772-98-7" ;
dbo:formula "H10Na2O8S2" ;
dbo:inchi "InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2" ;
dbo:iupacName "disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;pentahydrate"@en ;
dbo:pubchem "61475"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=PODWXQQNRWNDGD-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NatoSO4" ;
skos:prefLabel "natriumthiosulfaat"@nl .
csc:CHEMONTID_0001192
skos:narrower csc:YIIMEMSDCNDGTB-UHFFFAOYSA-N .
csc:CHEMONTID_0002340
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002340 ;
skos:definition "Steroid derivatives in which one carbon atom in the steroidal skeleton has been substituted with a nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002340" ;
skos:prefLabel "Azasteroids and derivatives"@en .
csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7500 ;
dbo:casNumber "100-41-4" , "68908-88-3" , "70955-17-8" , "28213-80-1" ;
dbo:formula "C8H10" ;
dbo:inchi "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3" ;
dbo:iupacName "Ethylbenzene"@en ;
dbo:pubchem "7500"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=YNQLUTRBYVCPMQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_100-41-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yBen" ;
skos:prefLabel "ethylbenzeen"@nl ;
vcs:vmmParameterId "213"^^xsd:int .
csc:HYHJOUPYTUBFIX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:155385 ;
dbo:casNumber "70628-36-3" ;
dbo:formula "C11H13NO3" ;
dbo:inchi "InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)" ;
dbo:iupacName "2-oxo-2-(phenyl-propan-2-ylamino)acetic acid"@en ;
dbo:pubchem "155385"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O" ;
dbp:inchikey "InChIKey=HYHJOUPYTUBFIX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propCloxlt" ;
skos:prefLabel "propachlooroxalaat"@nl .
csc:CHEMONTID_0003965
skos:narrower csc:VOZKAJLKRJDJLL-UHFFFAOYSA-N , csc:RLYCRLGLCUXUPO-UHFFFAOYSA-N .
csc:OXOZHAWWRPCVGL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74821 ;
dbo:casNumber "2004-14-0" , "1066-40-6" ;
dbo:formula "C3H9LiOSi" ;
dbo:inchi "InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1" ;
dbo:iupacName "lithium trimethyl-oxidosilane"@en ;
dbo:pubchem "74821"^^xsd:int ;
dbo:smiles "[Li+].C[Si](C)(C)[O-]" ;
dbp:inchikey "InChIKey=OXOZHAWWRPCVGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004479 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yslnl" ;
skos:prefLabel "trimethylsilanol"@nl .
csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:177368 ;
dbo:casNumber "182346-21-0" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H" ;
dbo:iupacName "1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "177368"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br" ;
dbp:inchikey "InChIKey=DMLQSUZPTTUUDP-UHFFFAOYSA-N" ;
skos:altLabel "2,2',3,4,4'-pentabroomdifenylether (bde85)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_182346-21-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE85" ;
skos:prefLabel "2,2',3,4,4'-pentabroomdifenylether"@nl ;
vcs:vmmParameterId "932"^^xsd:int .
csc:NYNKJVPRTLBJNQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:75407 ;
dbo:casNumber "2372-82-9" ;
dbo:formula "C18H41N3" ;
dbo:inchi "InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3" ;
dbo:iupacName "N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine"@en ;
dbo:pubchem "75407"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN(CCCN)CCCN" ;
dbp:inchikey "InChIKey=NYNKJVPRTLBJNQ-UHFFFAOYSA-N" ;
skos:altLabel "N-(3-aminopropyl)-N-dodecylpropaan-1,3-diamine"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N3AoC3yN12yC" ;
skos:prefLabel "n-(3-aminopropyl)-n-dodecylpropaan-1,3-diamine"@nl .
csc:JCXGWMGPZLAOME-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359367 ;
dbo:casNumber "24267-48-9" , "17000-07-6" , "25243-76-9" , "7440-69-9" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi" ;
dbo:iupacName "BISMUTH"@en ;
dbo:pubchem "5359367"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi" ;
skos:prefLabel "bismut"@nl .
csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6361 ;
dbo:casNumber "75-29-6" ;
dbo:formula "C3H7Cl" ;
dbo:inchi "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3" ;
dbo:iupacName "2-CHLOROPROPANE"@en ;
dbo:pubchem "6361"^^xsd:int ;
dbo:smiles "CC(C)Cl" ;
dbp:inchikey "InChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClC3a" ;
skos:prefLabel "2-chloorpropaan"@nl .
csc:CHEMONTID_0000512
skos:narrower csc:KVWWIYGFBYDJQC-UHFFFAOYSA-N .
csc:IALRSQMWHFKJJA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28455 ;
dbo:casNumber "17301-94-9" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3" ;
dbo:iupacName "4-METHYLNONANE"@en ;
dbo:pubchem "28455"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCC" ;
dbp:inchikey "InChIKey=IALRSQMWHFKJJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yC9a" ;
skos:prefLabel "4-methylnonaan"@nl .
csc:BULLJMKUVKYZDJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67733 ;
dbo:casNumber "355-43-1" ;
dbo:formula "C6F13I" ;
dbo:inchi "InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" ;
dbo:iupacName "1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane"@en ;
dbo:pubchem "67733"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=BULLJMKUVKYZDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001518 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PF1IC6a" ;
skos:prefLabel "perfluor-1-joodhexaan"@nl .
csc:MWKVXOJATACCCH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6451155 ;
dbo:casNumber "163520-33-0" ;
dbo:formula "C18H17NO3" ;
dbo:inchi "InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3" ;
dbo:iupacName "ethyl 5,5-di(phenyl)-4H-1,2-oxazole-3-carboxylate"@en ;
dbo:pubchem "6451155"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=MWKVXOJATACCCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ixdfnC2y" ;
skos:prefLabel "isoxadifen-ethyl"@nl .
csc:HHXNVASVVVNNDG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40480 ;
dbo:casNumber "52663-73-7" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "40480"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HHXNVASVVVNNDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB199" ;
skos:prefLabel "2,2',3,3',4,5,6,6'-octachloorbifenyl"@nl .
csc:NIMLQBUJDJZYEJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:169132 ;
dbo:casNumber "4098-71-9" , "53880-05-0" ;
dbo:formula "C12H18N2O2" ;
dbo:inchi "InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3" ;
dbo:iupacName "5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane"@en ;
dbo:pubchem "169132"^^xsd:int ;
dbo:smiles "CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C" ;
dbp:inchikey "InChIKey=NIMLQBUJDJZYEJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrDiCN" ;
skos:prefLabel "isoforon diisocyanaat"@nl .
csc:DPNNNPAKRZOSMO-UHFFFAOYSA-K
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60714 ;
dbo:casNumber "120066-54-8" ;
dbo:formula "C17H29GdN4O7" ;
dbo:inchi "InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3" ;
dbo:iupacName "gadolinium(+3) cation; 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate"@en ;
dbo:pubchem "60714"^^xsd:int ;
dbo:smiles "CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]" ;
dbp:inchikey "InChIKey=DPNNNPAKRZOSMO-UHFFFAOYSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadtrdl" ;
skos:prefLabel "gadoteridol"@nl .
csc:YTNKWDJILNVLGX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71764 ;
dbo:casNumber "81403-68-1" , "81403-80-7" ;
dbo:formula "C19H28ClN5O4" ;
dbo:inchi "InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H" ;
dbo:iupacName "N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride"@en ;
dbo:pubchem "71764"^^xsd:int ;
dbo:smiles "CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl" ;
dbp:inchikey "InChIKey=YTNKWDJILNVLGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alfzsn" ;
skos:prefLabel "alfuzosin"@nl .
csc:CHEMONTID_0000427
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000427 ;
skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:APFVFJFRJDLVQX-UHFFFAOYSA-N , csc:JCXGWMGPZLAOME-UHFFFAOYSA-N , csc:BKVIYDNLLOSFOA-YPZZEJLDSA-N , csc:XAGFODPZIPBFFR-UHFFFAOYSA-N , csc:GYHNNYVSQQEPJS-UHFFFAOYSA-N , csc:WABPQHHGFIMREM-RNFDNDRNSA-N , csc:WABPQHHGFIMREM-AKLPVKDBSA-N , csc:REDXJYDRNCIFBQ-UHFFFAOYSA-N , csc:ATJFFYVFTNAWJD-LZFNBGRKSA-N , csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N , csc:JCXGWMGPZLAOME-YPZZEJLDSA-N , csc:ATJFFYVFTNAWJD-VENIDDJXSA-N , csc:BKVIYDNLLOSFOA-RNFDNDRNSA-N , csc:JCXGWMGPZLAOME-OUBTZVSYSA-N , csc:WABPQHHGFIMREM-BKFZFHPZSA-N , csc:JCXGWMGPZLAOME-BKFZFHPZSA-N , csc:WABPQHHGFIMREM-RKEGKUSMSA-N , csc:JCXGWMGPZLAOME-AKLPVKDBSA-N , csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N , csc:WABPQHHGFIMREM-UHFFFAOYSA-N , csc:BKVIYDNLLOSFOA-OIOBTWANSA-N , csc:APFVFJFRJDLVQX-AHCXROLUSA-N , csc:JCXGWMGPZLAOME-OIOBTWANSA-N ;
skos:notation "CHEMONTID:0000427" ;
skos:prefLabel "Homogeneous post-transition metal compounds"@en .
csc:HXQPUEQDBSPXTE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7957 ;
dbo:casNumber "84295-44-3" , "108-82-7" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3" ;
dbo:iupacName "2,6-Dimethylheptan-4-ol"@en ;
dbo:pubchem "7957"^^xsd:int ;
dbo:smiles "CC(C)CC(CC(C)C)O" ;
dbp:inchikey "InChIKey=HXQPUEQDBSPXTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1y4C7ol" ;
skos:prefLabel "2,6-dimethyl-4-heptanol"@nl .
csc:UIWXSTHGICQLQT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7750 ;
dbo:casNumber "170016-12-3" , "25035-84-1" , "105-38-4" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3" ;
dbo:iupacName "ethenyl propanoate"@en ;
dbo:pubchem "7750"^^xsd:int ;
dbo:smiles "CCC(=O)OC=C" ;
dbp:inchikey "InChIKey=UIWXSTHGICQLQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002354 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polvnppont" ;
skos:prefLabel "polyvinylpropionaat"@nl .
csc:VPWNQTHUCYMVMZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6626 ;
dbo:casNumber "80-09-1" , "98388-00-2" ;
dbo:formula "C12H10O4S" ;
dbo:inchi "InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H" ;
dbo:iupacName "4-(4-hydroxyphenyl)sulfonylphenol"@en ;
dbo:pubchem "6626"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O" ;
dbp:inchikey "InChIKey=VPWNQTHUCYMVMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44sulfnDFol" ;
skos:prefLabel "4,4'-sulfonyldifenol"@nl .
csc:KFUSEUYYWQURPO-UPHRSURJSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:643833 ;
dbo:casNumber "156-59-2" ;
dbo:formula "C2H2Cl2" ;
dbo:inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-" ;
dbo:iupacName "(Z)-1,2-Dichloroethene"@en ;
dbo:pubchem "643833"^^xsd:int ;
dbo:smiles "C(=CCl)Cl" ;
dbp:inchikey "InChIKey=KFUSEUYYWQURPO-UPHRSURJSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,2-dichlooretheen,cis"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_156-59-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c12DClC2e" ;
skos:prefLabel "cis-1,2-dichlooretheen"@nl ;
vcs:vmmParameterId "715"^^xsd:int .
csc:DBVJJBKOTRCVKF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3305 ;
dbo:casNumber "66216-98-6" , "100511-44-2" , "86159-18-4" , "129130-42-3" , "2809-21-4" , "106908-76-3" , "51888-66-5" , "85985-26-8" ;
dbo:formula "C2H8O7P2" ;
dbo:inchi "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)" ;
dbo:iupacName "['(1-hydroxy-1-phosphonoethyl)phosphonic acid', 'trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium']"@en ;
dbo:pubchem "3305"^^xsd:int ;
dbo:smiles "CC(O)(P(=O)(O)O)P(=O)(O)O" ;
dbp:inchikey "InChIKey=DBVJJBKOTRCVKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000327 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HEDP" ;
skos:prefLabel "1-hydroxyethylideen-1,1-difosfonzuur"@nl .
csc:YCMLQMDWSXFTIF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6924 ;
dbo:casNumber "8013-74-9" , "1333-07-9" , "88-19-7" ;
dbo:formula "C7H9NO2S" ;
dbo:inchi "InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)" ;
dbo:iupacName "2-Methylbenzenesulfonamide"@en ;
dbo:pubchem "6924"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1S(=O)(=O)N" ;
dbp:inchikey "InChIKey=YCMLQMDWSXFTIF-UHFFFAOYSA-N" ;
skos:altLabel "o-tolueensulfonamide"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oTolsfAd" , "TSA" ;
skos:prefLabel "tolueensulfonamide"@nl .
csc:NCFTXMQPRQZFMZ-WERGMSTESA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:44186 ;
dbo:casNumber "62893-19-0" , "62893-20-3" ;
dbo:formula "C25H26N9NaO8S2" ;
dbo:inchi "InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1" ;
dbo:iupacName "sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "44186"^^xsd:int ;
dbo:smiles "CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=NCFTXMQPRQZFMZ-WERGMSTESA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefobid"@nl .
csc:PFIADAMVCJPXSF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17581 ;
dbo:casNumber "2675-77-6" ;
dbo:formula "C8H8Cl2O2" ;
dbo:inchi "InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3" ;
dbo:iupacName "1,4-Dichloro-2,5-dimethoxybenzene"@en ;
dbo:pubchem "17581"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1Cl)OC)Cl" ;
dbp:inchikey "InChIKey=PFIADAMVCJPXSF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clnb" ;
skos:prefLabel "chloroneb"@nl .
csc:LLYYNOVSVPBRGV-NFQTWZMKSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:443605 ;
dbo:casNumber "101312-92-9" ;
dbo:formula "C31H52N2O5S" ;
dbo:inchi "InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24?,25-,26-,29+,30-,31-/m0/s1" ;
dbo:iupacName "[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate"@en ;
dbo:pubchem "443605"^^xsd:int ;
dbo:smiles "CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C" ;
dbp:inchikey "InChIKey=LLYYNOVSVPBRGV-NFQTWZMKSA-N" ;
skos:broader csc:CHEMONTID_0002003 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "valnemuline"@nl .
csc:NTUBJKOTTSFEEV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70139 ;
dbo:casNumber "877-09-8" ;
dbo:formula "C8H6Cl4" ;
dbo:inchi "InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3" ;
dbo:iupacName "1,2,3,5-tetrachloro-4,6-dimethylbenzene"@en ;
dbo:pubchem "70139"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl" ;
dbp:inchikey "InChIKey=NTUBJKOTTSFEEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4Cl46DC" ;
skos:prefLabel "1,2,3,5-tetrachloor-4,6-dimethylbenzeen"@nl .
csc:CHEMONTID_0000485
skos:narrower csc:JWEOEZZCZCCPJL-UHFFFAOYSA-N , csc:DMYHGDXADUDKCQ-UHFFFAOYSA-N .
csc:MWGATWIBSKHFMR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31235 ;
dbo:casNumber "122-98-5" ;
dbo:formula "C8H11NO" ;
dbo:inchi "InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2" ;
dbo:iupacName "2-(Phenylamino)ethanol"@en ;
dbo:pubchem "31235"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NCCO" ;
dbp:inchikey "InChIKey=MWGATWIBSKHFMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyAoC2ol" ;
skos:prefLabel "2-fenylamino-ethanol"@nl .
csc:QPCDCPDFJACHGM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3053 ;
dbo:casNumber "6889-50-5" , "7575-40-8" , "67-43-6" , "25737-54-6" , "49758-21-6" , "13407-13-1" , "84932-15-0" ;
dbo:formula "C14H23N3O10" ;
dbo:inchi "InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)" ;
dbo:iupacName "2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid"@en ;
dbo:pubchem "3053"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O" ;
dbp:inchikey "InChIKey=QPCDCPDFJACHGM-UHFFFAOYSA-N" ;
skos:altLabel "di-ethyleentriaminepentaazijnzuur (DTPA)"@nl , "diethyleentriaminepenta-azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0002995 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DTPA" ;
skos:prefLabel "di-ethyleentriaminepentaazijnzuur (dtpa)"@nl .
csc:KRTSDMXIXPKRQR-AATRIKPKSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5371562 ;
dbo:casNumber "6923-22-4" , "2157-98-4" , "83857-41-4" ;
dbo:formula "C7H14NO5P" ;
dbo:inchi "InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+" ;
dbo:iupacName "['dimethyl (4-methylamino-4-oxobut-2-en-2-yl) phosphate', 'dimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphate']"@en ;
dbo:pubchem "5371562"^^xsd:int ;
dbo:smiles "CC(=CC(=O)NC)OP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=KRTSDMXIXPKRQR-AATRIKPKSA-N" ;
skos:altLabel "azodrin"@nl ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mctfs" , "azdn" ;
skos:prefLabel "monocrotofos"@nl .
csc:HCWPIIXVSYCSAN-BJUDXGSMSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6336607 ;
dbo:casNumber "13981-53-8" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1-1" ;
dbo:iupacName "radium-225"@en ;
dbo:pubchem "6336607"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "InChIKey=HCWPIIXVSYCSAN-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra225" ;
skos:prefLabel "radium 225"@nl .
csc:RZILCCPWPBTYDO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16562 ;
dbo:casNumber "2164-17-2" ;
dbo:formula "C10H11F3N2O" ;
dbo:inchi "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)" ;
dbo:iupacName "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea"@en ;
dbo:pubchem "16562"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F" ;
dbp:inchikey "InChIKey=RZILCCPWPBTYDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluomtrn" ;
skos:prefLabel "fluometuron"@nl .
csc:CHEMONTID_0001633
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001633 ;
skos:definition "Homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QTXVAVXCBMYBJW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001633" ;
skos:prefLabel "Homoisoflavones"@en .
csc:CGSLYBDCEGBZCG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14716 ;
dbo:casNumber "1241-94-7" ;
dbo:formula "C20H27O4P" ;
dbo:inchi "InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3" ;
dbo:iupacName "2-Ethylhexyl diphenyl phosphate"@en ;
dbo:pubchem "14716"^^xsd:int ;
dbo:smiles "CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CGSLYBDCEGBZCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yDFyPO" ;
skos:prefLabel "2-ethylhexyldifenylfosfaat"@nl .
csc:OKKJLVBELUTLKV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:887 ;
dbo:casNumber "67-56-1" , "54841-71-3" ;
dbo:formula "CH4O" ;
dbo:inchi "InChI=1S/CH4O/c1-2/h2H,1H3" ;
dbo:iupacName "methanol"@en ;
dbo:pubchem "887"^^xsd:int ;
dbo:smiles "CO" ;
dbp:inchikey "InChIKey=OKKJLVBELUTLKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ol" ;
skos:prefLabel "methanol"@nl .
csc:JTSDBFGMPLKDCD-SWSPHLSKSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436128 ;
dbo:casNumber "108050-54-0" ;
dbo:formula "C46H80N2O13" ;
dbo:inchi "InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26?,27?,28-,29+,30-,31-,32+,33-,35?,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1" ;
dbo:iupacName "(5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione"@en ;
dbo:pubchem "6436128"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC" ;
dbp:inchikey "InChIKey=JTSDBFGMPLKDCD-SWSPHLSKSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tilmcsne" ;
skos:prefLabel "tilmicosine"@nl .
csc:HCWPIIXVSYCSAN-NJFSPNSNSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328553 ;
dbo:casNumber "15262-20-1" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra/i1+2" ;
dbo:iupacName "radium-228"@en ;
dbo:pubchem "6328553"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "InChIKey=HCWPIIXVSYCSAN-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra228" ;
skos:prefLabel "radium 228"@nl .
csc:KVNYFPKFSJIPBJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8657 ;
dbo:casNumber "135-01-3" , "1300-82-9" , "25340-17-4" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,2-DIETHYLBENZENE"@en ;
dbo:pubchem "8657"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1CC" ;
dbp:inchikey "InChIKey=KVNYFPKFSJIPBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC2yBen" ;
skos:prefLabel "1,2-diethylbenzeen"@nl .
csc:CHEMONTID_0001548
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001548 ;
skos:definition "Carboxylic acids (or derivative thereof) containing a halogen atom bonded to the alpha carbon atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001548" ;
skos:prefLabel "Alpha-halocarboxylic acids and derivatives"@en .
csc:RDBIYWSVMRVKSG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12572 ;
dbo:casNumber "644-64-4" ;
dbo:formula "C10H16N4O3" ;
dbo:inchi "InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3" ;
dbo:iupacName "[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate"@en ;
dbo:pubchem "12572"^^xsd:int ;
dbo:smiles "CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C" ;
dbp:inchikey "InChIKey=RDBIYWSVMRVKSG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dimtln" ;
skos:prefLabel "dimetilan"@nl .
csc:CHEMONTID_0004524
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004524 ;
skos:definition "Aromatic compounds containing a triphenyl moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZJMLMBICUVVJDX-UHFFFAOYSA-N , csc:VNFPBHJOKIVQEB-UHFFFAOYSA-N , csc:LXMQMMSGERCRSU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004524" ;
skos:prefLabel "Triphenyl compounds"@en .
csc:KNHJIEOCVVIBIV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:137096 ;
dbo:casNumber "1591-99-7" ;
dbo:formula "C9H9NO" ;
dbo:inchi "InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3" ;
dbo:iupacName "1-Isocyanato-2,3-dimethylbenzene"@en ;
dbo:pubchem "137096"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)N=C=O)C" ;
dbp:inchikey "InChIKey=KNHJIEOCVVIBIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yFyiCN" ;
skos:prefLabel "2,3-dimethylfenyl isocyanaat"@nl .
csc:VGHPMIFEKOFHHQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86422 ;
dbo:casNumber "139528-85-1" ;
dbo:formula "C14H13Cl2N5O4S" ;
dbo:inchi "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3" ;
dbo:iupacName "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide"@en ;
dbo:pubchem "86422"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=NC3=N2)OC)OC)Cl" ;
dbp:inchikey "InChIKey=VGHPMIFEKOFHHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004682 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metslm" ;
skos:prefLabel "metosulam"@nl .
csc:YLFSVIMMRPNPFK-VAWYXSNFSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6242405 ;
dbo:casNumber "103833-18-7" ;
dbo:formula "C26H21F6NO5" ;
dbo:inchi "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11+" ;
dbo:iupacName "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-[(E)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "6242405"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C" ;
dbp:inchikey "InChIKey=YLFSVIMMRPNPFK-VAWYXSNFSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acntn" ;
skos:prefLabel "acrinathrin"@nl .
csc:KGVPNLBXJKTABS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24781 ;
dbo:casNumber "128907-24-4" , "10004-44-1" ;
dbo:formula "C4H5NO2" ;
dbo:inchi "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)" ;
dbo:iupacName "5-methyl-1,2-oxazol-3-one"@en ;
dbo:pubchem "24781"^^xsd:int ;
dbo:smiles "CC1=CC(=O)NO1" ;
dbp:inchikey "InChIKey=KGVPNLBXJKTABS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000081 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hymxzl" ;
skos:prefLabel "hymexazool"@nl .
csc:CHEMONTID_0001065
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001065 ;
skos:definition "Inorganic non-metallic compoundscontaining a perchlorate as its largest oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HHEFNVCDPLQQTP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001065" ;
skos:prefLabel "Non-metal perchlorates"@en .
csc:TYYBFXNZMFNZJT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3742 ;
dbo:casNumber "59017-64-0" ;
dbo:formula "C24H21I6N5O8" ;
dbo:inchi "InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)" ;
dbo:iupacName "3-[[2-[[3-(acetyl-methylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid"@en ;
dbo:pubchem "3742"^^xsd:int ;
dbo:smiles "CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I" ;
dbp:inchikey "InChIKey=TYYBFXNZMFNZJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "joxgnzr" ;
skos:prefLabel "joxaglinezuur"@nl .
csc:RLYCRLGLCUXUPO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13205 ;
dbo:casNumber "823-40-5" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3" ;
dbo:iupacName "2-methylbenzene-1,3-diamine"@en ;
dbo:pubchem "13205"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1N)N" ;
dbp:inchikey "InChIKey=RLYCRLGLCUXUPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003965 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26TolDAe" ;
skos:prefLabel "2,6-tolueendiamine"@nl .
csc:CHEMONTID_0001691
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001691 ;
skos:definition "Compounds containing a steroid moiety which bears a carboxylic acid ester group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WMWTYOKRWGGJOA-ZHLGSTKJSA-N , csc:HPFVBGJFAYZEBE-ZLQWOROUSA-N ;
skos:notation "CHEMONTID:0001691" ;
skos:prefLabel "Steroid esters"@en .
csc:MLUCVPSAIODCQM-IHWYPQMZSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:643950 ;
dbo:casNumber "4170-30-3" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-" ;
dbo:iupacName "(Z)-but-2-enal"@en ;
dbo:pubchem "643950"^^xsd:int ;
dbo:smiles "CC=CC=O" ;
dbp:inchikey "InChIKey=MLUCVPSAIODCQM-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aclinC1y" ;
skos:prefLabel "2-butenal (cis en trans)"@nl .
csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27375 ;
dbo:casNumber "15545-48-9" , "11111-56-1" ;
dbo:formula "C10H13ClN2O" ;
dbo:inchi "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)" ;
dbo:iupacName "3-(3-chloro-4-methylphenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "27375"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl" ;
dbp:inchikey "InChIKey=JXCGFZXSOMJFOA-UHFFFAOYSA-N" ;
skos:altLabel "chlorotoluron"@nl ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_15545-48-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cltlrn" ;
skos:prefLabel "chloortoluron"@nl ;
vcs:vmmParameterId "269"^^xsd:int .
csc:ZPZKADHMBHMAES-UHFFFAOYSA-L
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62431 ;
dbo:casNumber "2164-07-0" ;
dbo:formula "C8H8K2O5" ;
dbo:inchi "InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2" ;
dbo:iupacName "dipotassium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate"@en ;
dbo:pubchem "62431"^^xsd:int ;
dbo:smiles "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[K+].[K+]" ;
dbp:inchikey "InChIKey=ZPZKADHMBHMAES-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DKedtl" ;
skos:prefLabel "dikalium endothall"@nl .
csc:ZCXGMSGCBDSEOY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30647 ;
dbo:casNumber "941-57-1" ;
dbo:formula "C7H5NO3S2" ;
dbo:inchi "InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)" ;
dbo:iupacName "1,3-benzothiazole-2-sulfonic acid"@en ;
dbo:pubchem "30647"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=ZCXGMSGCBDSEOY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13benztaz2sf" ;
skos:prefLabel "1,3-benzothiazool-2-sulfonzuur"@nl .
csc:VEQOALNAAJBPNY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2206 ;
dbo:casNumber "60-80-0" , "5779-41-9" , "123175-91-7" ;
dbo:formula "C11H12N2O" ;
dbo:inchi "InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3" ;
dbo:iupacName "1,5-dimethyl-2-phenylpyrazol-3-one"@en ;
dbo:pubchem "2206"^^xsd:int ;
dbo:smiles "CC1=CC(=O)N(N1C)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=VEQOALNAAJBPNY-UHFFFAOYSA-N" ;
skos:altLabel "fenazon"@nl ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenzn" ;
skos:prefLabel "fenazon (antipyrine)"@nl .
csc:CHEMONTID_0003981
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003981 ;
skos:definition "Organic compounds containing a benzene skeleton substituted with a halomethyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003981" ;
skos:prefLabel "Benzyl halides"@en .
csc:UFNOUKDBUJZYDE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86132 ;
dbo:casNumber "113096-99-4" , "94361-06-5" ;
dbo:formula "C15H18ClN3O" ;
dbo:inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3" ;
dbo:iupacName "2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "86132"^^xsd:int ;
dbo:smiles "CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O" ;
dbp:inchikey "InChIKey=UFNOUKDBUJZYDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypcnzl" ;
skos:prefLabel "cyproconazool"@nl .
csc:BASFCYQUMIYNBI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:23939 ;
dbo:casNumber "21547-63-7" , "7440-06-4" ;
dbo:formula "Pt" ;
dbo:inchi "InChI=1S/Pt" ;
dbo:iupacName "PLATINUM"@en ;
dbo:pubchem "23939"^^xsd:int ;
dbo:smiles "[Pt]" ;
dbp:inchikey "InChIKey=BASFCYQUMIYNBI-UHFFFAOYSA-N" ;
skos:altLabel "platina (Pt)"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "Platina en zijn verbindingen, uitgedrukt als Pt"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pt" ;
skos:prefLabel "platina"@nl .
csc:CHEMONTID_0002754
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002754 ;
skos:definition "Aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YNWVFADWVLCOPU-MDWZMJQESA-N , csc:FBOUIAKEJMZPQG-AWNIVKPZSA-N ;
skos:notation "CHEMONTID:0002754" ;
skos:prefLabel "Cinnamyl alcohols"@en .
csc:CHEMONTID_0001527
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001527 ;
skos:definition "Cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZSZFUDFOPOMEET-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001527" ;
skos:prefLabel "Diphenylacetonitriles"@en .
csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:10477 ;
dbo:casNumber "506-77-4" ;
dbo:formula "CClN" ;
dbo:inchi "InChI=1S/CClN/c2-1-3" ;
dbo:iupacName "carbononitridic chloride"@en ;
dbo:pubchem "10477"^^xsd:int ;
dbo:smiles "C(#N)Cl" ;
dbp:inchikey "InChIKey=QPJDMGCKMHUXFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004084 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "chloorcyaan"@nl .
csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:992 ;
dbo:casNumber "39390-77-7" , "87-86-5" , "101802-54-4" ;
dbo:formula "C6HCl5O" ;
dbo:inchi "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" ;
dbo:iupacName "2,3,4,5,6-Pentachlorophenol"@en ;
dbo:pubchem "992"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O" ;
dbp:inchikey "InChIKey=IZUPBVBPLAPZRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_87-86-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClFol" ;
skos:prefLabel "pentachloorfenol"@nl ;
vcs:vmmParameterId "259"^^xsd:int .
csc:PYLWMHQQBFSUBP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10008 ;
dbo:casNumber "462-06-6" ;
dbo:formula "C6H5F" ;
dbo:inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Fluorobenzene"@en ;
dbo:pubchem "10008"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)F" ;
dbp:inchikey "InChIKey=PYLWMHQQBFSUBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6H5F" ;
skos:prefLabel "fluorbenzeen"@nl .
csc:CHEMONTID_0001670
skos:narrower csc:XSNQECSCDATQEL-UHFFFAOYSA-N , csc:SVTBMSDMJJWYQN-UHFFFAOYSA-N , csc:MWFMGBPGAXYFAR-UHFFFAOYSA-N , csc:MSXVEPNJUHWQHW-UHFFFAOYSA-N , csc:LIUBOLYWYDGCSJ-UHFFFAOYSA-N , csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N .
csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:3776 ;
dbo:casNumber "8013-70-5" , "5131-95-3" , "67-63-0" ;
dbo:formula "C3H8O" ;
dbo:inchi "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3" ;
dbo:iupacName "Propan-2-ol"@en ;
dbo:pubchem "3776"^^xsd:int ;
dbo:smiles "CC(C)O" ;
dbp:inchikey "InChIKey=KFZMGEQAYNKOFK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_009 , co:LUC_IV_012 ;
skos:altLabel "isopropanol"@nl ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ol" ;
skos:prefLabel "2-propanol"@nl .
csc:GPXLRLUVLMHHIK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93379 ;
dbo:casNumber "68157-60-8" ;
dbo:formula "C12H10ClN3O" ;
dbo:inchi "InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)" ;
dbo:iupacName "3-(2-chloropyridin-4-yl)-1-phenylurea"@en ;
dbo:pubchem "93379"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl" ;
dbp:inchikey "InChIKey=GPXLRLUVLMHHIK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fClfnrn" ;
skos:prefLabel "forchlorfenuron"@nl .
csc:IMROMDMJAWUWLK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11199 ;
dbo:casNumber "557-75-5" , "9002-89-5" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3/h2-3H,1H2" ;
dbo:iupacName "Ethenol"@en ;
dbo:pubchem "11199"^^xsd:int ;
dbo:smiles "C=CO" ;
dbp:inchikey "InChIKey=IMROMDMJAWUWLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000132 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polvnachl" ;
skos:prefLabel "polyvinylalcohol"@nl .
csc:CPEUVMUXAHMANV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:35802 ;
dbo:casNumber "31430-15-6" ;
dbo:formula "C16H12FN3O3" ;
dbo:inchi "InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)" ;
dbo:iupacName "methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "35802"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F" ;
dbp:inchikey "InChIKey=CPEUVMUXAHMANV-UHFFFAOYSA-N" ;
skos:altLabel "flubendazol"@nl ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubdzle" ;
skos:prefLabel "flubendazole"@nl .
csc:AQIHMSVIAGNIDM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12056 ;
dbo:casNumber "618-32-6" ;
dbo:formula "C7H5BrO" ;
dbo:inchi "InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "BENZOYL BROMIDE"@en ;
dbo:pubchem "12056"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)Br" ;
dbp:inchikey "InChIKey=AQIHMSVIAGNIDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000176 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyBr" ;
skos:prefLabel "benzoylbromide"@nl .
csc:NUJGJRNETVAIRJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:454 ;
dbo:casNumber "124-13-0" ;
dbo:formula "C8H16O" ;
dbo:inchi "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3" ;
dbo:iupacName "Octanal"@en ;
dbo:pubchem "454"^^xsd:int ;
dbo:smiles "CCCCCCCC=O" ;
dbp:inchikey "InChIKey=NUJGJRNETVAIRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8al" ;
skos:prefLabel "octanal"@nl .
csc:CHEMONTID_0001585
skos:narrower csc:GFZPUWKGPNHWHD-UHFFFAOYSA-N .
csc:BHRZNVHARXXAHW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24874 ;
dbo:casNumber "13250-12-9" , "13952-84-6" , "513-49-5" , "33966-50-6" , "776995-07-4" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3" ;
dbo:iupacName "butan-2-amine"@en ;
dbo:pubchem "24874"^^xsd:int ;
dbo:smiles "CCC(C)N" ;
dbp:inchikey "InChIKey=BHRZNVHARXXAHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secC4yAe" ;
skos:prefLabel "sec-butylamine"@nl .
csc:WBTMFEPLVQOWFI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38878 ;
dbo:casNumber "41464-42-0" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H" ;
dbo:iupacName "1,3-dichloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38878"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WBTMFEPLVQOWFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB72" ;
skos:prefLabel "2,3',5,5'-tetrachloorbifenyl"@nl .
csc:DEWVPZYHFVYXMZ-QCILGFJPSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65419 ;
dbo:casNumber "52508-35-7" , "55600-00-5" , "55819-26-6" , "62938-94-7" ;
dbo:formula "C12H17NaO7" ;
dbo:inchi "InChI=1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1" ;
dbo:iupacName "sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate"@en ;
dbo:pubchem "65419"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]" ;
dbp:inchikey "InChIKey=DEWVPZYHFVYXMZ-QCILGFJPSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dikglNa" ;
skos:prefLabel "dikegulac-natrium"@nl .
csc:PGPNJCAMHOJTEF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23436 ;
dbo:casNumber "7005-72-3" , "55398-86-2" ;
dbo:formula "C12H9ClO" ;
dbo:inchi "InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-chloro-4-(phenoxy)benzene"@en ;
dbo:pubchem "23436"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=PGPNJCAMHOJTEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFyFyEtr" ;
skos:prefLabel "4-chloorfenyl fenylether"@nl .
csc:CHEMONTID_0003960
skos:narrower csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N , csc:SRMWNTGHXHOWBT-UHFFFAOYSA-N , csc:RRRXPPIDPYTNJG-UHFFFAOYSA-N , csc:CKRXVVGETMYFIO-UHFFFAOYSA-N , csc:CCEKAJIANROZEO-UHFFFAOYSA-N .
csc:DCOPUUMXTXDBNB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033 ;
dbo:casNumber "15307-86-5" ;
dbo:formula "C14H11Cl2NO2" ;
dbo:inchi "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)" ;
dbo:iupacName "2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid"@en ;
dbo:pubchem "3033"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl" ;
dbp:inchikey "InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_15307-86-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dclofnc" ;
skos:prefLabel "diclofenac"@nl ;
vcs:vmmParameterId "1398"^^xsd:int .
csc:CHEMONTID_0001506
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001506 ;
skos:definition "Nucleotides with a purine base attached to the ribosyl moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001506" ;
skos:prefLabel "Purine nucleotides"@en .
csc:CHEMONTID_0004476
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004476 ;
skos:definition "Aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NHLUYCJZUXOUBX-UHFFFAOYSA-N , csc:VXNZUUAINFGPBY-UHFFFAOYSA-N , csc:KWKAKUADMBZCLK-UHFFFAOYSA-N , csc:WSSSPWUEQFSQQG-UHFFFAOYSA-N , csc:QQONPFPTGQHPMA-UHFFFAOYSA-N , csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N , csc:SPURMHFLEKVAAS-UHFFFAOYSA-N , csc:ZGEGCLOFRBLKSE-UHFFFAOYSA-N , csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N , csc:GQEZCXVZFLOKMC-UHFFFAOYSA-N , csc:VGGSQFUCUMXWEO-UHFFFAOYSA-N , csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N , csc:DCTOHCCUXLBQMS-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004476" ;
skos:prefLabel "Unsaturated aliphatic hydrocarbons"@en .
csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23712 ;
dbo:casNumber "109829-45-0" , "7286-69-3" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "23712"^^xsd:int ;
dbo:smiles "CCC(C)NC1=NC(=NC(=N1)NCC)Cl" ;
dbp:inchikey "InChIKey=BZRUVKZGXNSXMB-UHFFFAOYSA-N" ;
skos:altLabel "sebutylazine"@nl ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_7286-69-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "seC4yazne" ;
skos:prefLabel "sebuthylazine"@nl ;
vcs:vmmParameterId "509"^^xsd:int .
csc:COYBRKAVBMYYSF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93528 ;
dbo:casNumber "99607-70-2" ;
dbo:formula "C18H22ClNO3" ;
dbo:inchi "InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3" ;
dbo:iupacName "heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate"@en ;
dbo:pubchem "93528"^^xsd:int ;
dbo:smiles "CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2" ;
dbp:inchikey "InChIKey=COYBRKAVBMYYSF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloqtcmxl" ;
skos:prefLabel "cloquintoceet-mexyl"@nl .
csc:FEPBITJSIHRMRT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4765 ;
dbo:casNumber "28469-73-0" , "98-67-9" ;
dbo:formula "C6H6O4S" ;
dbo:inchi "InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)" ;
dbo:iupacName "4-Hydroxybenzenesulfonic acid"@en ;
dbo:pubchem "4765"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=FEPBITJSIHRMRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pFolsfzr" ;
skos:prefLabel "p-fenolsulfonzuur"@nl .
csc:ZDZOTLJHXYCWBA-VCVYQWHSSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:148124 ;
dbo:casNumber "114977-28-5" ;
dbo:formula "C43H53NO14" ;
dbo:inchi "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1" ;
dbo:iupacName "[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"@en ;
dbo:pubchem "148124"^^xsd:int ;
dbo:smiles "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O" ;
dbp:inchikey "InChIKey=ZDZOTLJHXYCWBA-VCVYQWHSSA-N" ;
skos:broader csc:CHEMONTID_0000676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "doctxl" ;
skos:prefLabel "docetaxel"@nl .
csc:UPUGLJYNCXXUQV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17242 ;
dbo:casNumber "2497-07-6" ;
dbo:formula "C8H19O3PS3" ;
dbo:inchi "InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17242"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)CC" ;
dbp:inchikey "InChIKey=UPUGLJYNCXXUQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DsftSO" ;
skos:prefLabel "disulfoton-sulfoxide"@nl .
csc:LJQOBQLZTUSEJA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38410 ;
dbo:casNumber "40186-71-8" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "38410"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LJQOBQLZTUSEJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB201" ;
skos:prefLabel "2,2',3,3',4,5',6,6'-octachloorbifenyl"@nl .
csc:BQCADISMDOOEFD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23954 ;
dbo:casNumber "87354-45-8" , "12553-68-3" , "7440-22-4" , "87370-84-1" , "15046-91-0" ;
dbo:formula "Ag" ;
dbo:inchi "InChI=1S/Ag" ;
dbo:iupacName "Silver"@en ;
dbo:pubchem "23954"^^xsd:int ;
dbo:smiles "[Ag]" ;
dbp:inchikey "InChIKey=BQCADISMDOOEFD-UHFFFAOYSA-N" ;
skos:altLabel "zilver"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-22-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ag" ;
skos:prefLabel "zilver, opgelost"@nl ;
vcs:vmmParameterId "201"^^xsd:int , "200"^^xsd:int , "1917"^^xsd:int , "1985"^^xsd:int , "202"^^xsd:int .
csc:CHEMONTID_0002648
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002648 ;
skos:definition "Heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CKPWHXBGVRURFU-UHFFFAOYSA-N , csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N , csc:XNYGOEGATLFFOX-UHFFFAOYSA-N , csc:BBLDTXFLAHKYFJ-UHFFFAOYSA-N , csc:WYURNTSHIVDZCO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002648" ;
skos:prefLabel "Tetrahydrofurans"@en .
csc:CHEMONTID_0000422
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000422 ;
skos:definition "Inorganic compounds that contain only metal atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000422" ;
skos:prefLabel "Homogeneous metal compounds"@en .
csc:KFRVYYGHSPLXSZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13527 ;
dbo:casNumber "919-94-8" ;
dbo:formula "C7H16O" ;
dbo:inchi "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3" ;
dbo:iupacName "2-Ethoxy-2-methylbutane"@en ;
dbo:pubchem "13527"^^xsd:int ;
dbo:smiles "CCC(C)(C)OCC" ;
dbp:inchikey "InChIKey=KFRVYYGHSPLXSZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2ox2C1yC4a" ;
skos:prefLabel "2-ethoxy-2-methylbutaan"@nl .
csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:246598 ;
dbo:casNumber "3424-82-6" ;
dbo:formula "C14H8Cl4" ;
dbo:inchi "InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene"@en ;
dbo:pubchem "246598"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ZDYJWDIWLRZXDB-UHFFFAOYSA-N" ;
skos:altLabel "op'dichloordifenyldichlooretheen"@nl , "o,p’-dde"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_3424-82-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDE" ;
skos:prefLabel "2,4'-dichloordifenyldichlooretheen"@nl ;
vcs:vmmParameterId "256"^^xsd:int .
csc:STAPBGVGYWCRTF-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19292 ;
dbo:casNumber "11100-01-9" , "3653-48-3" , "11114-06-0" ;
dbo:formula "C9H8ClNaO3" ;
dbo:inchi "InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1" ;
dbo:iupacName "sodium 2-(4-chloro-2-methylphenoxy)acetate"@en ;
dbo:pubchem "19292"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=STAPBGVGYWCRTF-UHFFFAOYSA-M" ;
skos:altLabel "MCPA natriumzout"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPANazt" ;
skos:prefLabel "mcpa natriumzout"@nl .
csc:JLLJHQLUZAKJFH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41648 ;
dbo:casNumber "55861-78-4" ;
dbo:formula "C10H17N3O2" ;
dbo:inchi "InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)" ;
dbo:iupacName "3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea"@en ;
dbo:pubchem "41648"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C" ;
dbp:inchikey "InChIKey=JLLJHQLUZAKJFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003886 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iurn" ;
skos:prefLabel "isouron"@nl .
list:superclass a rdf:List ;
rdf:first cscl:superclass ;
rdf:rest list:class ;
skos:prefLabel "Niveau superklasse"@nl .
csc:CHEMONTID_0001564
skos:narrower csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N , csc:LFYXNXGVLGKVCJ-UHFFFAOYSA-N , csc:JUWUWIGZUVEFQB-UHFFFAOYSA-N , csc:GRWFGVWFFZKLTI-UHFFFAOYSA-N , csc:DTGKSKDOIYIVQL-UHFFFAOYSA-N , csc:DSSYKIVIOFKYAU-UHFFFAOYSA-N , csc:DSSYKIVIOFKYAU-OMNKOJBGSA-N , csc:CRPUJAZIXJMDBK-UHFFFAOYSA-N , csc:BQOFWKZOCNGFEC-UHFFFAOYSA-N .
csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38854 ;
dbo:casNumber "41394-05-2" ;
dbo:formula "C10H10N4O" ;
dbo:inchi "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3" ;
dbo:iupacName "4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one"@en ;
dbo:pubchem "38854"^^xsd:int ;
dbo:smiles "CC1=NN=C(C(=O)N1N)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=VHCNQEUWZYOAEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004107 ;
skos:exactMatch wise:CAS_41394-05-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mmtn" ;
skos:prefLabel "metamitron"@nl ;
vcs:vmmParameterId "1233"^^xsd:int .
csc:SQYNKIJPMDEDEG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31264 ;
dbo:casNumber "51289-71-5" , "1499-02-1" , "123-63-7" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3" ;
dbo:iupacName "2,4,6-Trimethyl-1,3,5-trioxane"@en ;
dbo:pubchem "31264"^^xsd:int ;
dbo:smiles "CC1OC(OC(O1)C)C" ;
dbp:inchikey "InChIKey=SQYNKIJPMDEDEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001853 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parAh" ;
skos:prefLabel "paraldehyde"@nl .
csc:VEXZGXHMUGYJMC-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:312 ;
dbo:casNumber "16887-00-6" ;
dbo:formula "Cl-" ;
dbo:inchi "InChI=1S/ClH/h1H/p-1" ;
dbo:iupacName "chloride"@en ;
dbo:pubchem "312"^^xsd:int ;
dbo:smiles "[Cl-]" ;
dbp:inchikey "InChIKey=VEXZGXHMUGYJMC-UHFFFAOYSA-M" ;
dct:isReferencedBy co:LUC_III_002 , co:WAC_V_B_003 , co:CMA_2_I_C , co:WAC_III_D_020 ;
skos:exactMatch wise:CAS_16887-00-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cl" ;
skos:prefLabel "chloride"@nl ;
vcs:vmmParameterId "4"^^xsd:int , "1793"^^xsd:int , "2119"^^xsd:int .
csc:HYFLWBNQFMXCPA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11903 ;
dbo:casNumber "611-14-3" , "25550-14-5" , "25154-47-6" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3" ;
dbo:iupacName "1-Ethyl-2-methylbenzene"@en ;
dbo:pubchem "11903"^^xsd:int ;
dbo:smiles "CCC1=CC=CC=C1C" ;
dbp:inchikey "InChIKey=HYFLWBNQFMXCPA-UHFFFAOYSA-N" ;
skos:altLabel "ethyltolueen"@nl ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yTol" , "C2yTol" ;
skos:prefLabel "2-ethyltolueen"@nl .
csc:CHEMONTID_0000480
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000480 ;
skos:definition "Compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000480" ;
skos:prefLabel "Pyrimidine nucleosides"@en .
csc:QHZSDTDMQZPUKC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36981 ;
dbo:casNumber "34883-41-5" ;
dbo:formula "C12H8Cl2" ;
dbo:inchi "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H" ;
dbo:iupacName "1,3-dichloro-5-phenylbenzene"@en ;
dbo:pubchem "36981"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=QHZSDTDMQZPUKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB14" ;
skos:prefLabel "3,5-dichloorbifenyl"@nl .
csc:QAHFOPIILNICLA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13728 ;
dbo:casNumber "957-51-7" , "73413-06-6" , "5104-31-4" , "12697-94-8" ;
dbo:formula "C16H17NO" ;
dbo:inchi "InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3" ;
dbo:iupacName "N,N-dimethyl-2,2-di(phenyl)acetamide"@en ;
dbo:pubchem "13728"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=QAHFOPIILNICLA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DfAd" ;
skos:prefLabel "difenamide"@nl .
csc:DNVLJEWNNDHELH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:35970 ;
dbo:casNumber "84523-34-2" , "31895-21-3" ;
dbo:formula "C5H11NS3" ;
dbo:inchi "InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3" ;
dbo:iupacName "N,N-dimethyltrithian-5-amine"@en ;
dbo:pubchem "35970"^^xsd:int ;
dbo:smiles "CN(C)C1CSSSC1" ;
dbp:inchikey "InChIKey=DNVLJEWNNDHELH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001862 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toccm" ;
skos:prefLabel "thiocyclam"@nl .
csc:SRMWNTGHXHOWBT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3034468 ;
dbo:casNumber "122526-47-0" , "31506-32-8" ;
dbo:formula "C9H4F17NO2S" ;
dbo:inchi "InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide"@en ;
dbo:pubchem "3034468"^^xsd:int ;
dbo:smiles "CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=SRMWNTGHXHOWBT-UHFFFAOYSA-N" ;
skos:altLabel "n-methylperfluor-n-octaansulfonamide (mepfosa)"@nl , "N-methylperfluoroctaansulfonamide"@nl , "n-methylperfluor-n-octaansulfonamide"@nl , "N-methyl perfluoroctaansulfonamide"@nl , "n-methylperfluoroctaan-1-sulfonamide (mepfosa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MeFOSA" ;
skos:prefLabel "n-methyl perfluoroctaansulfonamide"@nl .
csc:JFALSRSLKYAFGM-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167047 ;
dbo:casNumber "14269-75-1" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-1" ;
dbo:iupacName "uranium-237"@en ;
dbo:pubchem "167047"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U237" ;
skos:prefLabel "uranium 237"@nl .
csc:MGSRCZKZVOBKFT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6989 ;
dbo:casNumber "89-83-8" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" ;
dbo:iupacName "5-methyl-2-propan-2-ylphenol"@en ;
dbo:pubchem "6989"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(C)C)O" ;
dbp:inchikey "InChIKey=MGSRCZKZVOBKFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6iC3ymcsl" ;
skos:prefLabel "6-isopropyl-m-cresol"@nl .
csc:LNEPOXFFQSENCJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3559 ;
dbo:casNumber "52-86-8" ;
dbo:formula "C21H23ClFNO2" ;
dbo:inchi "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2" ;
dbo:iupacName "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one"@en ;
dbo:pubchem "3559"^^xsd:int ;
dbo:smiles "C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F" ;
dbp:inchikey "InChIKey=LNEPOXFFQSENCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halprdl" ;
skos:prefLabel "haloperidol"@nl .
csc:CHEMONTID_0000395
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000395 ;
skos:definition "Organic compounds containing the nitrate oxoanion, with the formula NO3-."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000395" ;
skos:prefLabel "Organic nitrates"@en .
csc:VPZIYMMSJFWLSP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:129274 ;
dbo:casNumber "68011-66-5" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)" ;
dbo:iupacName "8-hydroxybenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "129274"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O" ;
dbp:inchikey "InChIKey=VPZIYMMSJFWLSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxcbmzpne" ;
skos:prefLabel "2-hydroxy carbamazepine"@nl .
csc:YBQZXXMEJHZYMB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31222 ;
dbo:casNumber "38622-18-3" , "122-66-7" , "55299-18-8" ;
dbo:formula "C12H12N2" ;
dbo:inchi "InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H" ;
dbo:iupacName "1,2-di(phenyl)hydrazine"@en ;
dbo:pubchem "31222"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NNC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=YBQZXXMEJHZYMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000113 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DFyhdzne" ;
skos:prefLabel "1,2-difenylhydrazine"@nl .
csc:CHEMONTID_0002770
skos:narrower csc:HORNXRXVQWOLPJ-UHFFFAOYSA-N .
csc:WOWBFOBYOAGEEA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91732 ;
dbo:casNumber "80060-09-9" ;
dbo:formula "C23H32N2OS" ;
dbo:inchi "InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)" ;
dbo:iupacName "3-tert-butyl-1-[4-(phenoxy)-2,6-di(propan-2-yl)phenyl]thiourea"@en ;
dbo:pubchem "91732"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC(=C1NC(=NC(C)(C)C)S)C(C)C)OC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=WOWBFOBYOAGEEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfturn" ;
skos:prefLabel "diafenthiuron"@nl .
csc:PWORFEDVDWBHSJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:85498 ;
dbo:casNumber "16584-00-2" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3" ;
dbo:iupacName "2-Methylbenzotriazole"@en ;
dbo:pubchem "85498"^^xsd:int ;
dbo:smiles "CN1N=C2C=CC=CC2=N1" ;
dbp:inchikey "InChIKey=PWORFEDVDWBHSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2bztazl" ;
skos:prefLabel "2-methyl-2-benzotriazool"@nl .
csc:CHEMONTID_0000316
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000316 ;
skos:definition "Organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KGHMWBNEMFNJFZ-UHFFFAOYSA-N , csc:TUGYIJVAYAHHHM-UHFFFAOYSA-N , csc:ZTWQZJLUUZHJGS-UHFFFAOYSA-N , csc:TXVHTIQJNYSSKO-UHFFFAOYSA-N , csc:ATLMFJTZZPOKLC-UHFFFAOYSA-N , csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N , csc:RXUSYFJGDZFVND-UHFFFAOYSA-N , csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N , csc:JNTHRSHGARDABO-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000316" ;
skos:prefLabel "Benzopyrenes"@en .
csc:LQNUZADURLCDLV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7416 ;
dbo:casNumber "98-95-3" , "26969-40-4" ;
dbo:formula "C6H5NO2" ;
dbo:inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline']"@en ;
dbo:pubchem "7416"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_98-95-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2Ben" ;
skos:prefLabel "nitrobenzeen"@nl ;
vcs:vmmParameterId "218"^^xsd:int .
csc:KIGBUEKEZHTCDR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22095 ;
dbo:casNumber "5836-29-3" ;
dbo:formula "C19H16O3" ;
dbo:inchi "InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2" ;
dbo:iupacName "2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one"@en ;
dbo:pubchem "22095"^^xsd:int ;
dbo:smiles "C1CC(C2=CC=CC=C2C1)C3=C(OC4=CC=CC=C4C3=O)O" ;
dbp:inchikey "InChIKey=KIGBUEKEZHTCDR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "coumttll" ;
skos:prefLabel "coumatetralyl"@nl .
csc:WSEQXVZVJXJVFP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2771 ;
dbo:casNumber "59729-33-8" ;
dbo:formula "C20H21FN2O" ;
dbo:inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" ;
dbo:iupacName "1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile"@en ;
dbo:pubchem "2771"^^xsd:int ;
dbo:smiles "CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F" ;
dbp:inchikey "InChIKey=WSEQXVZVJXJVFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000014 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "citlpm" ;
skos:prefLabel "citalopram"@nl .
csc:CHEMONTID_0004434
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004434 ;
skos:definition "Compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R= H or organyl group, X=any heteroatom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004434" ;
skos:prefLabel "Organic sulfonic acids and derivatives"@en .
csc:OOLBCHYXZDXLDS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38687 ;
dbo:casNumber "75045-49-7" , "40843-25-2" ;
dbo:formula "C15H12Cl2O4" ;
dbo:inchi "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)" ;
dbo:iupacName "2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID"@en ;
dbo:pubchem "38687"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=OOLBCHYXZDXLDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcfp" ;
skos:prefLabel "diclofop"@nl .
csc:IQUPABOKLQSFBK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6947 ;
dbo:casNumber "88-75-5" ;
dbo:formula "C6H5NO3" ;
dbo:inchi "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H" ;
dbo:iupacName "['2-(dihydroxyamino)phenol', '2-Nitrophenol']"@en ;
dbo:pubchem "6947"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=IQUPABOKLQSFBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2Fol" ;
skos:prefLabel "2-nitrofenol"@nl .
csc:AZQWKYJCGOJGHM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4650 ;
dbo:casNumber "106-51-4" , "54560-36-0" , "19052-63-2" , "51226-74-5" , "3225-29-4" ;
dbo:formula "C6H4O2" ;
dbo:inchi "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H" ;
dbo:iupacName "cyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "4650"^^xsd:int ;
dbo:smiles "C1=CC(=O)C=CC1=O" ;
dbp:inchikey "InChIKey=AZQWKYJCGOJGHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinne" ;
skos:prefLabel "chinon"@nl .
csc:AVSXSVCZWQODGV-DPAQBDIFSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:439577 ;
dbo:casNumber "313-04-2" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "439577"^^xsd:int ;
dbo:smiles "CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=AVSXSVCZWQODGV-DPAQBDIFSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chol524Den3b" ;
skos:prefLabel "cholesta-5,24-dien-3-beta-ol"@nl .
csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:9321 ;
dbo:casNumber "75013-58-0" , "37836-27-4" , "31886-26-7" , "119775-10-9" , "634-62-8" , "302-01-2" ;
dbo:formula "H4N2" ;
dbo:inchi "InChI=1S/H4N2/c1-2/h1-2H2" ;
dbo:iupacName "Hydrazine"@en ;
dbo:pubchem "9321"^^xsd:int ;
dbo:smiles "NN" ;
dbp:inchikey "InChIKey=OAKJQQAXSVQMHS-UHFFFAOYSA-N" ;
skos:altLabel "hydrazine"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydzne" ;
skos:prefLabel "hydrazine "@nl .
csc:HORNXRXVQWOLPJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7933 ;
dbo:casNumber "108-43-0" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H" ;
dbo:iupacName "3-Chlorophenol"@en ;
dbo:pubchem "7933"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)O" ;
dbp:inchikey "InChIKey=HORNXRXVQWOLPJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002770 ;
skos:exactMatch wise:CAS_108-43-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClFol" ;
skos:prefLabel "3-chloorfenol"@nl ;
vcs:vmmParameterId "357"^^xsd:int .
csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3034400 ;
dbo:casNumber "139598-16-6" , "113172-79-5" , "68928-80-3" ;
dbo:formula "C12H3Br7O" ;
dbo:inchi "InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene"@en ;
dbo:pubchem "3034400"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=NLBLNZDNOSSGPW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_68928-80-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "heptabroomdifenylether"@nl ;
vcs:vmmParameterId "1460"^^xsd:int .
csc:VEDTXTNSFWUXGQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13081 ;
dbo:casNumber "786-19-6" ;
dbo:formula "C11H16ClO2PS3" ;
dbo:inchi "InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13081"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=VEDTXTNSFWUXGQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfnton" ;
skos:prefLabel "carbofenothion"@nl .
csc:DEQZTKGFXNUBJL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7232 ;
dbo:casNumber "95-33-0" , "108251-59-8" , "51540-81-9" , "156014-54-9" ;
dbo:formula "C13H16N2S2" ;
dbo:inchi "InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2" ;
dbo:iupacName "N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine"@en ;
dbo:pubchem "7232"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NSC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "InChIKey=DEQZTKGFXNUBJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ccC6yAotobz" ;
skos:prefLabel "2-(cyclohexylaminothio)benzothiazool"@nl .
csc:HCTWZIFNBBCVGM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:522524 ;
dbo:casNumber "7421-93-4" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2" ;
dbo:iupacName "3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde"@en ;
dbo:pubchem "522524"^^xsd:int ;
dbo:smiles "C1C(C2C3C1C4C5(C2(C(C3(C45Cl)Cl)(Cl)Cl)Cl)Cl)C=O" ;
dbp:inchikey "InChIKey=HCTWZIFNBBCVGM-UHFFFAOYSA-N" ;
skos:altLabel "endrinaldehyde"@nl ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endAh" ;
skos:prefLabel "endrin aldehyde"@nl .
csc:CHEMONTID_0000289
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000289 ;
skos:definition "Compounds containing a nucleobase linked to a ribose or deoxyribose sugar via a beta-glycosidic linkage. The ribose or deoxyribose moiety bears at least a phosphate group in case of nucleotides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000289" ;
skos:prefLabel "Nucleosides, nucleotides, and analogues"@en .
csc:QWPPOHNGKGFGJK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24341 ;
dbo:casNumber "26190-92-1" , "14333-29-0" , "7790-92-3" ;
dbo:formula "ClHO" ;
dbo:inchi "InChI=1S/ClHO/c1-2/h2H" ;
dbo:iupacName "HYPOCHLOROUS ACID"@en ;
dbo:pubchem "24341"^^xsd:int ;
dbo:smiles "OCl" ;
dbp:inchikey "InChIKey=QWPPOHNGKGFGJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001057 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HOCl" ;
skos:prefLabel "hypochloorzuur"@nl .
csc:GYHNNYVSQQEPJS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5360835 ;
dbo:casNumber "7440-55-3" , "15091-79-9" ;
dbo:formula "Ga" ;
dbo:inchi "InChI=1S/Ga" ;
dbo:iupacName "GALLIUM"@en ;
dbo:pubchem "5360835"^^xsd:int ;
dbo:smiles "[Ga]" ;
dbp:inchikey "InChIKey=GYHNNYVSQQEPJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ga" ;
skos:prefLabel "gallium"@nl .
csc:PNDPGZBMCMUPRI-HVTJNCQCSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24855 ;
dbo:casNumber "10043-66-0" , "24267-56-9" ;
dbo:formula "I2" ;
dbo:inchi "InChI=1S/I2/c1-2/i1+4,2+4" ;
dbo:iupacName "Iodine-131"@en ;
dbo:pubchem "24855"^^xsd:int ;
dbo:smiles "II" ;
dbp:inchikey "InChIKey=PNDPGZBMCMUPRI-HVTJNCQCSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I131" ;
skos:prefLabel "jodium 131"@nl .
csc:KDPAWGWELVVRCH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6227 ;
dbo:casNumber "79-08-3" , "418768-49-7" ;
dbo:formula "C2H3BrO2" ;
dbo:inchi "InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)" ;
dbo:iupacName "2-Bromoacetic acid"@en ;
dbo:pubchem "6227"^^xsd:int ;
dbo:smiles "C(C(=O)O)Br" ;
dbp:inchikey "InChIKey=KDPAWGWELVVRCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrHAc" ;
skos:prefLabel "broomazijnzuur"@nl .
csc:CHEMONTID_0003265
skos:narrower csc:LFQCEHFDDXELDD-UHFFFAOYSA-N .
csc:KZAUOCCYDRDERY-UITAMQMPSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9595287 ;
dbo:casNumber "23135-22-0" ;
dbo:formula "C7H13N3O3S" ;
dbo:inchi "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-" ;
dbo:iupacName "[(2-dimethylamino-1-methylsulfanyl-2-oxoethylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9595287"^^xsd:int ;
dbo:smiles "CNC(=O)ON=C(C(=O)N(C)C)SC" ;
dbp:inchikey "InChIKey=KZAUOCCYDRDERY-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oaml" ;
skos:prefLabel "oxamyl"@nl .
csc:CHEMONTID_0000921
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000921 ;
skos:definition "Inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CWBIFDGMOSWLRQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000921" ;
skos:prefLabel "Alkaline earth metal silicates"@en .
csc:NOOLISFMXDJSKH-KXUCPTDWSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16666 ;
dbo:casNumber "2216-51-5" , "89-78-1" , "98167-53-4" ;
dbo:formula "C10H20O" ;
dbo:inchi "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1" ;
dbo:iupacName "(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol"@en ;
dbo:pubchem "16666"^^xsd:int ;
dbo:smiles "CC1CCC(C(C1)O)C(C)C" ;
dbp:inchikey "InChIKey=NOOLISFMXDJSKH-KXUCPTDWSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mentl" ;
skos:prefLabel "menthol"@nl .
csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355457 ;
dbo:casNumber "7440-39-3" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba" ;
dbo:iupacName "BARIUM"@en ;
dbo:pubchem "5355457"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "InChIKey=DSAJWYNOEDNPEQ-UHFFFAOYSA-N" ;
skos:altLabel "barium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:exactMatch wise:CAS_7440-39-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba" ;
skos:prefLabel "barium"@nl ;
vcs:vmmParameterId "138"^^xsd:int , "139"^^xsd:int , "1922"^^xsd:int , "1990"^^xsd:int , "140"^^xsd:int .
csc:VQGHOUODWALEFC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13887 ;
dbo:casNumber "1008-89-5" , "94928-86-6" ;
dbo:formula "C11H9N" ;
dbo:inchi "InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H" ;
dbo:iupacName "2-PHENYLPYRIDINE"@en ;
dbo:pubchem "13887"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=N2" ;
dbp:inchikey "InChIKey=VQGHOUODWALEFC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Fyprdne" ;
skos:prefLabel "2-fenylpyridine"@nl .
csc:CHEMONTID_0004413
skos:narrower csc:FWQYJOPJMIEKHZ-UHFFFAOYSA-N .
csc:CHEMONTID_0001437
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001437 ;
skos:definition "Organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FOUWCSDKDDHKQP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001437" ;
skos:prefLabel "Benzoxazinones"@en .
csc:JLQUFIHWVLZVTJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41384 ;
dbo:casNumber "73468-61-8" , "55285-14-8" ;
dbo:formula "C20H32N2O3S" ;
dbo:inchi "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3" ;
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate"@en ;
dbo:pubchem "41384"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "InChIKey=JLQUFIHWVLZVTJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbsfn" ;
skos:prefLabel "carbosulfan"@nl .
csc:FIPWRIJSWJWJAI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5794 ;
dbo:casNumber "12750-92-4" , "51-03-6" , "63993-73-7" ;
dbo:formula "C19H30O5" ;
dbo:inchi "InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3" ;
dbo:iupacName "5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole"@en ;
dbo:pubchem "5794"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2" ;
dbp:inchikey "InChIKey=FIPWRIJSWJWJAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piprnbO" ;
skos:prefLabel "piperonyl-butoxide"@nl .
csc:YPKBVWZHVTZSPU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26660 ;
dbo:casNumber "14383-60-9" ;
dbo:formula "C11H15NO" ;
dbo:inchi "InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "N-(1-phenylpropan-2-yl)acetamide"@en ;
dbo:pubchem "26660"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC(=O)C" ;
dbp:inchikey "InChIKey=YPKBVWZHVTZSPU-UHFFFAOYSA-N" ;
skos:altLabel "N-(alfa-methylfenethyl) acetamide"@nl ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaC1yFC2yAd" ;
skos:prefLabel "n-(alfa-methylfenethyl) acetamide"@nl .
csc:VILGDADBAQFRJE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77344 ;
dbo:casNumber "3741-80-8" ;
dbo:formula "C18H17N3S4" ;
dbo:inchi "InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3" ;
dbo:iupacName "N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine"@en ;
dbo:pubchem "77344"^^xsd:int ;
dbo:smiles "CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3" ;
dbp:inchikey "InChIKey=VILGDADBAQFRJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2bztazsfAd" ;
skos:prefLabel "2-benzothiazolsulfonamide"@nl .
csc:INQOMBQAUSQDDS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6328 ;
dbo:casNumber "147937-07-3" , "74-88-4" ;
dbo:formula "CH3I" ;
dbo:inchi "InChI=1S/CH3I/c1-2/h1H3" ;
dbo:iupacName "Iodomethane"@en ;
dbo:pubchem "6328"^^xsd:int ;
dbo:smiles "CI" ;
dbp:inchikey "InChIKey=INQOMBQAUSQDDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IC1a" ;
skos:prefLabel "joodmethaan"@nl .
csc:YRRKLBAKDXSTNC-WEVVVXLNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9570093 ;
dbo:casNumber "60005-95-0" , "1646-88-4" ;
dbo:formula "C7H14N2O4S" ;
dbo:inchi "InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "9570093"^^xsd:int ;
dbo:smiles "CC(C)(C=NOC(=O)NC)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=YRRKLBAKDXSTNC-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alDcsfn" ;
skos:prefLabel "aldicarbsulfon"@nl .
csc:RWNUSVWFHDHRCJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21210 ;
dbo:casNumber "5131-66-8" ;
dbo:formula "C7H16O2" ;
dbo:inchi "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3" ;
dbo:iupacName "1-Butoxypropan-2-ol"@en ;
dbo:pubchem "21210"^^xsd:int ;
dbo:smiles "CCCCOCC(C)O" ;
dbp:inchikey "InChIKey=RWNUSVWFHDHRCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4ox2C3ol" ;
skos:prefLabel "1-butoxy-2-propanol"@nl .
csc:BGQMOFGZRJUORO-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74745 ;
dbo:casNumber "65129-03-5" , "65129-05-7" , "1941-30-6" ;
dbo:formula "C12H28BrN" ;
dbo:inchi "InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrapropylazanium bromide"@en ;
dbo:pubchem "74745"^^xsd:int ;
dbo:smiles "CCC[N+](CCC)(CCC)CCC.[Br-]" ;
dbp:inchikey "InChIKey=BGQMOFGZRJUORO-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C3yNH3Br" ;
skos:prefLabel "tetrapropylammoniumbromide"@nl .
csc:ZGNITFSDLCMLGI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11193251 ;
dbo:casNumber "272451-65-7" ;
dbo:formula "C23H22F7IN2O4S" ;
dbo:inchi "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)" ;
dbo:iupacName "1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide"@en ;
dbo:pubchem "11193251"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C" ;
dbp:inchikey "InChIKey=ZGNITFSDLCMLGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubDad" ;
skos:prefLabel "flubendiamide"@nl .
csc:PGMYKACGEOXYJE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12348 ;
dbo:casNumber "628-63-7" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3" ;
dbo:iupacName "Pentyl acetate"@en ;
dbo:pubchem "12348"^^xsd:int ;
dbo:smiles "CCCCCOC(=O)C" ;
dbp:inchikey "InChIKey=PGMYKACGEOXYJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amactt" ;
skos:prefLabel "amylacetaat"@nl .
csc:BBDKZWKEPDTENS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7499 ;
dbo:casNumber "92619-43-7" , "100-40-3" ;
dbo:formula "C8H12" ;
dbo:inchi "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2" ;
dbo:iupacName "4-Ethenylcyclohexene"@en ;
dbo:pubchem "7499"^^xsd:int ;
dbo:smiles "C=CC1CCC=CC1" ;
dbp:inchikey "InChIKey=BBDKZWKEPDTENS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4vn1ccC6e" ;
skos:prefLabel "4-vinyl-1-cyclohexeen"@nl .
csc:KWYUFKZDYYNOTN-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14797 ;
dbo:casNumber "71769-53-4" , "1310-58-3" , "29857-72-5" ;
dbo:formula "HKO" ;
dbo:inchi "InChI=1S/K.H2O/h;1H2/q+1;/p-1" ;
dbo:iupacName "POTASSIUM HYDROXIDE"@en ;
dbo:pubchem "14797"^^xsd:int ;
dbo:smiles "[OH-].[K+]" ;
dbp:inchikey "InChIKey=KWYUFKZDYYNOTN-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KOH" ;
skos:prefLabel "kaliumhydroxide"@nl .
csc:RLQJEEJISHYWON-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9834513 ;
dbo:casNumber "158062-67-0" ;
dbo:formula "C9H6F3N3O" ;
dbo:inchi "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)" ;
dbo:iupacName "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide"@en ;
dbo:pubchem "9834513"^^xsd:int ;
dbo:smiles "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N" ;
dbp:inchikey "InChIKey=RLQJEEJISHYWON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "floncmd" ;
skos:prefLabel "flonicamid"@nl .
csc:BDAGIHXWWSANSR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:284 ;
dbo:casNumber "82069-14-5" , "64-18-6" , "7056-83-9" , "8006-93-7" , "15907-03-6" ;
dbo:formula "CH2O2" ;
dbo:inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" ;
dbo:iupacName "formic acid"@en ;
dbo:pubchem "284"^^xsd:int ;
dbo:smiles "C(=O)O" ;
dbp:inchikey "InChIKey=BDAGIHXWWSANSR-UHFFFAOYSA-N" ;
skos:altLabel "mierenzuur "@nl , "methaanzuur"@nl ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1azr" ;
skos:prefLabel "mierenzuur"@nl .
csc:HJIQVKXMQOLFFS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3048787 ;
dbo:casNumber "1330-43-4" , "63989-70-8" ;
dbo:formula "B4H14Na2O14" ;
dbo:inchi "InChI=1S/4B.2Na.7H2O.7O/h;;;;;;7*1H2;;;;;;;/q4*+3;2*+1;;;;;;;;7*-2" ;
dbo:iupacName "disodium; boron(+3) cation; oxygen(-2) anion; heptahydrate"@en ;
dbo:pubchem "3048787"^^xsd:int ;
dbo:smiles "[B+3].[B+3].[B+3].[B+3].O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=HJIQVKXMQOLFFS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2B4O7" ;
skos:prefLabel "dinatriumtetraboraat"@nl .
csc:WATWJIUSRGPENY-BKFZFHPZSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335314 ;
dbo:casNumber "13968-50-8" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+5" ;
dbo:iupacName "antimony-127"@en ;
dbo:pubchem "6335314"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb127" ;
skos:prefLabel "antimoon 127"@nl .
csc:CHEMONTID_0002017
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002017 ;
skos:definition "Compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:AHTPATJNIAFOLR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002017" ;
skos:prefLabel "Thiophene carboxylic acids and derivatives"@en .
csc:IFCBMPOMNSORDG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21963 ;
dbo:casNumber "5737-13-3" ;
dbo:formula "C15H8O" ;
dbo:inchi "InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H" ;
dbo:iupacName "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one"@en ;
dbo:pubchem "21963"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C(=O)C4=CC=CC(=C43)C=C2" ;
dbp:inchikey "InChIKey=IFCBMPOMNSORDG-UHFFFAOYSA-N" ;
skos:altLabel "4h-cyclopenta[d,e,f]fenantreen-4-on"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HccPedefFen" ;
skos:prefLabel "4H-cyclopenta[d,e,f]fenantreen-4-on"@nl .
cosc:water a skos:Collection ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:HFZWRUODUSTPEG-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N , csc:BZLVMXJERCGZMT-UHFFFAOYSA-N , csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N , csc:HXGDTGSAIMULJN-UHFFFAOYSA-N , csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N , csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N , csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N , csc:WLFDQEVORAMCIM-UHFFFAOYSA-N , csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N , csc:PBKONEOXTCPAFI-UHFFFAOYSA-N , csc:CJJOSEISRRTUQB-UHFFFAOYSA-N , csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M , csc:CAHQGWAXKLQREW-UHFFFAOYSA-N , csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N , csc:YACLQRRMGMJLJV-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N , csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N , csc:SUSRORUBZHMPCO-UHFFFAOYSA-N , csc:MXWJVTOOROXGIU-UHFFFAOYSA-N , csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N , csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N , csc:XDDAORKBJWWYJS-UHFFFAOYSA-N , csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N , csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N , csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N , csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N , csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N , csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N , csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N , csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N , csc:JNTHRSHGARDABO-UHFFFAOYSA-N , csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N , csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N , csc:LLYXJBROWQDVMI-UHFFFAOYSA-N , csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N , csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N , csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N , csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N , csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N , csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N , csc:LFULEKSKNZEWOE-UHFFFAOYSA-N , csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N , csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N , csc:UOORRWUZONOOLO-OWOJBTEDSA-N , csc:SNGREZUHAYWORS-UHFFFAOYSA-N , csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N , csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N , csc:BIWJNBZANLAXMG-UHFFFAOYSA-N , 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csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N , csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N , csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N , csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N , csc:KSMVNVHUTQZITP-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N , csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N , csc:CSHWQDPOILHKBI-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:XAGFODPZIPBFFR-UHFFFAOYSA-N , csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N , csc:IROINLKCQGIITA-UHFFFAOYSA-N , csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N , csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N , csc:KAATUXNTWXVJKI-UHFFFAOYSA-N , csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N , csc:LINPIYWFGCPVIE-UHFFFAOYSA-N , csc:HEFNNWSXXWATRW-UHFFFAOYSA-N , csc:NTBYINQTYWZXLH-UHFFFAOYSA-N , csc:NFACJZMKEDPNKN-UHFFFAOYSA-N , csc:URLKBWYHVLBVBO-UHFFFAOYSA-N , csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K , csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N , csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N , csc:LLWADFLAOKUBDR-UHFFFAOYSA-N , csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N , csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N , csc:QSHDDOUJBYECFT-UHFFFAOYSA-N , csc:CYRMSUTZVYGINF-UHFFFAOYSA-N , csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N , csc:RQNWIZPPADIBDY-UHFFFAOYSA-N , csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N , csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N , csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N , csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N , csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N , csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:IUTPYMGCWINGEY-UHFFFAOYSA-N ;
skos:prefLabel "Chemische stoffen die in water gemeten worden."@nl .
csc:LZIPBJBQQPZLOR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:228289 ;
dbo:casNumber "6315-52-2" ;
dbo:formula "C16H18O6S2" ;
dbo:inchi "InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3" ;
dbo:iupacName "2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate"@en ;
dbo:pubchem "228289"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C" ;
dbp:inchikey "InChIKey=LZIPBJBQQPZLOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DpTolsfnC2ye" ;
skos:prefLabel "di-p-tolueensulfonaat-ethyleenglycol"@nl .
csc:DQJCHOQLCLEDLL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39040 ;
dbo:casNumber "41814-78-2" ;
dbo:formula "C9H7N3S" ;
dbo:inchi "InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3" ;
dbo:iupacName "8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole"@en ;
dbo:pubchem "39040"^^xsd:int ;
dbo:smiles "CC1=C2C(=CC=C1)SC3=NN=CN23" ;
dbp:inchikey "InChIKey=DQJCHOQLCLEDLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004201 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcczl" ;
skos:prefLabel "tricyclazool"@nl .
csc:MSJLMQTXVKCUCD-UHFFFAOYSA-M
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7132 ;
dbo:casNumber "93-23-2" ;
dbo:formula "C21H32BrN" ;
dbo:inchi "InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "2-dodecylisoquinolin-2-ium bromide"@en ;
dbo:pubchem "7132"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]" ;
dbp:inchikey "InChIKey=MSJLMQTXVKCUCD-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dodecylisoquinolinium"@nl .
csc:ARXHIJMGSIYYRZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38015 ;
dbo:casNumber "38380-03-9" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38015"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ARXHIJMGSIYYRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB110" ;
skos:prefLabel "2,3,3',4',6-pentachloorbifenyl"@nl .
csc:GGWBHVILAJZWKJ-KJEVSKRMSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033332 ;
dbo:casNumber "66357-59-3" , "66357-35-5" , "71130-06-8" ;
dbo:formula "C13H23ClN4O3S" ;
dbo:inchi "InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;" ;
dbo:iupacName "[\"(E)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride\", \"N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride\"]"@en ;
dbo:pubchem "3033332"^^xsd:int ;
dbo:smiles "CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl" ;
dbp:inchikey "InChIKey=GGWBHVILAJZWKJ-KJEVSKRMSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rantdne" ;
skos:prefLabel "ranitidine"@nl .
csc:SIXSYDAISGFNSX-OUBTZVSYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:107673 ;
dbo:casNumber "13967-63-0" ;
dbo:formula "Sc" ;
dbo:inchi "InChI=1S/Sc/i1+1" ;
dbo:iupacName "scandium-46"@en ;
dbo:pubchem "107673"^^xsd:int ;
dbo:smiles "[Sc]" ;
dbp:inchikey "InChIKey=SIXSYDAISGFNSX-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sc46" ;
skos:prefLabel "scandium 46"@nl .
csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:51043 ;
dbo:casNumber "70362-50-4" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "51043"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BHWVLZJTVIYLIV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "3,4,4',5-tetrachlorobifenyl"@nl , "3,4,4',5-tetrachloorbifenyl (pcb81)"@nl , "pcb 81"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_70362-50-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB81" ;
skos:prefLabel "PCB 81"@nl ;
vcs:vmmParameterId "1370"^^xsd:int .
csc:BULHJTXRZFEUDQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38307 ;
dbo:casNumber "39638-32-9" ;
dbo:formula "C6H12Cl2O" ;
dbo:inchi "InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3" ;
dbo:iupacName "2-chloro-2-(2-chloropropan-2-yloxy)propane"@en ;
dbo:pubchem "38307"^^xsd:int ;
dbo:smiles "CC(C)(OC(C)(C)Cl)Cl" ;
dbp:inchikey "InChIKey=BULHJTXRZFEUDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2CliC3yEt" ;
skos:prefLabel "bis(2-chloorisopropyl)ether"@nl .
csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6129 ;
dbo:casNumber "3197-92-0" , "11130-47-5" , "52001-89-5" , "11095-11-7" , "63-25-2" , "51274-03-4" , "27636-33-5" ;
dbo:formula "C12H11NO2" ;
dbo:inchi "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)" ;
dbo:iupacName "naphthalen-1-yl N-methylcarbamate"@en ;
dbo:pubchem "6129"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC2=CC=CC=C21" ;
dbp:inchikey "InChIKey=CVXBEEMKQHEXEN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_63-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbrl" ;
skos:prefLabel "carbaryl"@nl ;
vcs:vmmParameterId "799"^^xsd:int .
csc:YOVRGSHRZRJTLZ-HZPDHXFCSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108207 ;
dbo:casNumber "56354-06-4" ;
dbo:formula "C21H28O4" ;
dbo:inchi "InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1" ;
dbo:iupacName "(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid"@en ;
dbo:pubchem "108207"^^xsd:int ;
dbo:smiles "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O" ;
dbp:inchikey "InChIKey=YOVRGSHRZRJTLZ-HZPDHXFCSA-N" ;
skos:broader csc:CHEMONTID_0003522 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "m11n9cbxd9TH" ;
skos:prefLabel "(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol"@nl .
csc:IJDNQMDRQITEOD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7843 ;
dbo:casNumber "68475-59-2" , "68527-17-3" , "68476-42-6" , "106-97-8" , "68551-21-3" , "68514-31-8" ;
dbo:formula "C4H10" ;
dbo:inchi "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "BUTANE"@en ;
dbo:pubchem "7843"^^xsd:int ;
dbo:smiles "CCCC" ;
dbp:inchikey "InChIKey=IJDNQMDRQITEOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4a" ;
skos:prefLabel "butaan"@nl .
csc:CHNUNORXWHYHNE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29732 ;
dbo:casNumber "19666-30-9" ;
dbo:formula "C15H18Cl2N2O3" ;
dbo:inchi "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3" ;
dbo:iupacName "5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one"@en ;
dbo:pubchem "29732"^^xsd:int ;
dbo:smiles "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl" ;
dbp:inchikey "InChIKey=CHNUNORXWHYHNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_19666-30-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaDazn" ;
skos:prefLabel "oxadiazon"@nl ;
vcs:vmmParameterId "1030"^^xsd:int .
csc:CHEMONTID_0004450
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004450 ;
skos:definition "Organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CNCOEDDPFOAUMB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004450" ;
skos:prefLabel "Acrylic acids and derivatives"@en .
csc:ZNRLMGFXSPUZNR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8981 ;
dbo:casNumber "55069-42-6" , "26780-96-1" , "52038-43-4" , "147-47-7" ;
dbo:formula "C12H15N" ;
dbo:inchi "InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3" ;
dbo:iupacName "2,2,4-trimethyl-1H-quinoline"@en ;
dbo:pubchem "8981"^^xsd:int ;
dbo:smiles "CC1=CC(NC2=CC=CC=C12)(C)C" ;
dbp:inchikey "InChIKey=ZNRLMGFXSPUZNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DH224TC1yq" ;
skos:prefLabel "1,2-dihydro-2,2,4-trimethylquinoline"@nl .
csc:WVDDGKGOMKODPV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:244 ;
dbo:casNumber "185532-71-2" , "1336-27-2" , "100-51-6" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2" ;
dbo:iupacName "phenylmethanol"@en ;
dbo:pubchem "244"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CO" ;
dbp:inchikey "InChIKey=WVDDGKGOMKODPV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000033 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aHOxTol" ;
skos:prefLabel "alfa-hydroxytolueen"@nl .
csc:CHEMONTID_0000247
skos:narrower csc:ZFXYFBGIUFBOJW-UHFFFAOYSA-N , csc:YAPQBXQYLJRXSA-UHFFFAOYSA-N , csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N , csc:QUNWUDVFRNGTCO-UHFFFAOYSA-N , csc:HXNFUBHNUDHIGC-UHFFFAOYSA-N .
csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9411 ;
dbo:casNumber "314-40-9" ;
dbo:formula "C9H13BrN2O2" ;
dbo:inchi "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)" ;
dbo:iupacName "5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "9411"^^xsd:int ;
dbo:smiles "CCC(C)N1C(=O)C(=C(NC1=O)C)Br" ;
dbp:inchikey "InChIKey=CTSLUCNDVMMDHG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:exactMatch wise:CAS_314-40-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromcl" ;
skos:prefLabel "bromacil"@nl ;
vcs:vmmParameterId "1391"^^xsd:int .
csc:QBDSZLJBMIMQRS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11742 ;
dbo:casNumber "28261-59-8" , "599-64-4" ;
dbo:formula "C15H16O" ;
dbo:inchi "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3" ;
dbo:iupacName "4-(2-phenylpropan-2-yl)phenol"@en ;
dbo:pubchem "11742"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O" ;
dbp:inchikey "InChIKey=QBDSZLJBMIMQRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4cumFol" ;
skos:prefLabel "4-cumylfenol"@nl .
csc:PMSYHBINVYHTNN-ONNFQVAWSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6436020 ;
dbo:casNumber "49794-90-3" , "131-72-6" ;
dbo:formula "C18H24N2O6" ;
dbo:inchi "InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)13-16(20(24)25)18(14)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3/b10-4+" ;
dbo:iupacName "(2,4-dinitro-6-octylphenyl) (E)-but-2-enoate"@en ;
dbo:pubchem "6436020"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC" ;
dbp:inchikey "InChIKey=PMSYHBINVYHTNN-ONNFQVAWSA-N" ;
skos:broader csc:CHEMONTID_0002319 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meptdncp" ;
skos:prefLabel "meptyldinocap"@nl .
csc:RGLYKWWBQGJZGM-ISLYRVAYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:448537 ;
dbo:casNumber "8030-34-0" , "8049-42-1" , "56-53-1" , "22610-99-7" , "8053-00-7" , "6898-97-1" , "8026-45-7" , "8028-09-9" ;
dbo:formula "C18H20O2" ;
dbo:inchi "InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+" ;
dbo:iupacName "['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol']"@en ;
dbo:pubchem "448537"^^xsd:int ;
dbo:smiles "CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O" ;
dbp:inchikey "InChIKey=RGLYKWWBQGJZGM-ISLYRVAYSA-N" ;
skos:broader csc:CHEMONTID_0000253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2ysbsl" ;
skos:prefLabel "diethylstilboestrol"@nl .
csc:JUIQOABNSLTJSW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16867 ;
dbo:casNumber "2346-00-1" ;
dbo:formula "C4H7NS" ;
dbo:inchi "InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3" ;
dbo:iupacName "2-methyl-4,5-dihydro-1,3-thiazole"@en ;
dbo:pubchem "16867"^^xsd:int ;
dbo:smiles "CC1=NCCS1" ;
dbp:inchikey "InChIKey=JUIQOABNSLTJSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2tazlne" ;
skos:prefLabel "2-methyl-2-thiazoline"@nl .
csc:VZCCETWTMQHEPK-QNEBEIHSSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5280933 ;
dbo:casNumber "506-26-3" ;
dbo:formula "C18H30O2" ;
dbo:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-" ;
dbo:iupacName "(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid"@en ;
dbo:pubchem "5280933"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCCCCC(=O)O" ;
dbp:inchikey "InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-N" ;
skos:broader csc:CHEMONTID_0000504 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glnlzr" ;
skos:prefLabel "gamma-linoleenzuur"@nl .
csc:CHEMONTID_0000311
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000311 ;
skos:definition "Organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YEDUAINPPJYDJZ-UHFFFAOYSA-N , csc:XIGAUIHYSDTJHW-UHFFFAOYSA-N , csc:MHKLKWCYGIBEQF-UHFFFAOYSA-N , csc:CVHZOJJKTDOEJC-UHFFFAOYSA-N , csc:RRVIAQKBTUQODI-UHFFFAOYSA-N , csc:DMSMPAJRVJJAGA-UHFFFAOYSA-N , csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N , csc:UTBVIMLZIRIFFR-UHFFFAOYSA-N , csc:ZCXGMSGCBDSEOY-UHFFFAOYSA-N , csc:YJVXQQKAUCYQIP-UHFFFAOYSA-N , csc:DTCJYIIKPVRVDD-UHFFFAOYSA-N , csc:TUBQDCKAWGHZPF-UHFFFAOYSA-N , csc:UHGULLIUJBCTEF-UHFFFAOYSA-N , csc:AFZSMODLJJCVPP-UHFFFAOYSA-N , csc:YXIWHUQXZSMYRE-UHFFFAOYSA-N , csc:DEQZTKGFXNUBJL-UHFFFAOYSA-N , csc:DXYYSGDWQCSKKO-UHFFFAOYSA-N , csc:CSNIZNHTOVFARY-UHFFFAOYSA-N , csc:VILGDADBAQFRJE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000311" ;
skos:prefLabel "Benzothiazoles"@en .
csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:33 ;
dbo:casNumber "107-20-0" ;
dbo:formula "C2H3ClO" ;
dbo:inchi "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2" ;
dbo:iupacName "2-CHLOROACETALDEHYDE"@en ;
dbo:pubchem "33"^^xsd:int ;
dbo:smiles "C(C=O)Cl" ;
dbp:inchikey "InChIKey=QSKPIOLLBIHNAC-UHFFFAOYSA-N" ;
skos:altLabel "chlooraceetaldehyde "@nl ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClacAh" ;
skos:prefLabel "chlooraceetaldehyde"@nl .
csc:LIPRQQHINVWJCH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:171378 ;
dbo:casNumber "54839-24-6" ;
dbo:formula "C7H14O3" ;
dbo:inchi "InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3" ;
dbo:iupacName "1-ethoxypropan-2-yl acetate"@en ;
dbo:pubchem "171378"^^xsd:int ;
dbo:smiles "CCOCC(C)OC(=O)C" ;
dbp:inchikey "InChIKey=LIPRQQHINVWJCH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PGEEA" ;
skos:prefLabel "propyleenglycolmonoethyletheracetaat"@nl .
csc:LTQSAUHRSCMPLD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13707 ;
dbo:casNumber "950-10-7" , "12643-22-0" , "947-33-1" ;
dbo:formula "C8H16NO3PS2" ;
dbo:inchi "InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3" ;
dbo:iupacName "N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine"@en ;
dbo:pubchem "13707"^^xsd:int ;
dbo:smiles "CCOP(=O)(N=C1SCC(S1)C)OCC" ;
dbp:inchikey "InChIKey=LTQSAUHRSCMPLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000408 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meffln" ;
skos:prefLabel "mefosfolan"@nl .
csc:CHEMONTID_0002680
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002680 ;
skos:definition "Alkaloids with a structure based on the lysergic acid skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VAYOSLLFUXYJDT-RDTXWAMCSA-N ;
skos:notation "CHEMONTID:0002680" ;
skos:prefLabel "Lysergic acids and derivatives"@en .
csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7950 ;
dbo:casNumber "108-70-3" , "63697-19-8" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H" ;
dbo:iupacName "1,3,5-Trichlorobenzene"@en ;
dbo:pubchem "7950"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=XKEFYDZQGKAQCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-70-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TClBen" ;
skos:prefLabel "1,3,5-trichloorbenzeen"@nl ;
vcs:vmmParameterId "322"^^xsd:int .
csc:DKNWSYNQZKUICI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2130 ;
dbo:casNumber "768-94-5" ;
dbo:formula "C10H17N" ;
dbo:inchi "InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2" ;
dbo:iupacName "adamantan-1-amine"@en ;
dbo:pubchem "2130"^^xsd:int ;
dbo:smiles "C1C2CC3CC1CC(C2)(C3)N" ;
dbp:inchikey "InChIKey=DKNWSYNQZKUICI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtdne" ;
skos:prefLabel "amantadine"@nl .
csc:FLASNYPZGWUPSU-SICDJOISSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71853 ;
dbo:casNumber "9012-76-4" , "57285-05-9" ;
dbo:formula "C56H103N9O39" ;
dbo:inchi "InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1" ;
dbo:iupacName "methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate"@en ;
dbo:pubchem "71853"^^xsd:int ;
dbo:smiles "COC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O" ;
dbp:inchikey "InChIKey=FLASNYPZGWUPSU-SICDJOISSA-N" ;
skos:broader csc:CHEMONTID_0000198 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chitsn" ;
skos:prefLabel "chitosan"@nl .
csc:IAEGWXHKWJGQAZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26808 ;
dbo:casNumber "124765-77-1" , "14667-55-1" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3" ;
dbo:iupacName "2,3,5-Trimethylpyrazine"@en ;
dbo:pubchem "26808"^^xsd:int ;
dbo:smiles "CC1=CN=C(C(=N1)C)C" ;
dbp:inchikey "InChIKey=IAEGWXHKWJGQAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TC1yprzne" ;
skos:prefLabel "2,3,5-trimethylpyrazine"@nl .
csc:CHEMONTID_0000226
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000226 ;
skos:definition "Heterocyclic compounds containing a five-member saturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DUFVKSUJRWYZQP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000226" ;
skos:prefLabel "Thiazolidines"@en .
csc:VRXISYRYNOUKHO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3083763 ;
dbo:casNumber "2395-00-8" ;
dbo:formula "C8H2F15KO2" ;
dbo:inchi "InChI=1S/C8HF15O2.K.H/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;;/h(H,24,25);;/q;+1;-1" ;
dbo:iupacName "potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en ;
dbo:pubchem "3083763"^^xsd:int ;
dbo:smiles "[H-].C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.[K+]" ;
dbp:inchikey "InChIKey=VRXISYRYNOUKHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_K" ;
skos:prefLabel "perfluoroctaanzuur, kaliumzout"@nl .
csc:MLICVSDCCDDWMD-KVVVOXFISA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433168 ;
dbo:casNumber "143-18-0" ;
dbo:formula "C18H33KO2" ;
dbo:inchi "InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;" ;
dbo:iupacName "potassium (Z)-octadec-9-enoate"@en ;
dbo:pubchem "6433168"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]" ;
dbp:inchikey "InChIKey=MLICVSDCCDDWMD-KVVVOXFISA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Kolat" ;
skos:prefLabel "kaliumoleaat"@nl .
csc:OQZCSNDVOWYALR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91677 ;
dbo:casNumber "61213-25-0" , "89286-81-7" ;
dbo:formula "C12H10Cl2F3NO" ;
dbo:inchi "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2" ;
dbo:iupacName "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one"@en ;
dbo:pubchem "91677"^^xsd:int ;
dbo:smiles "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl" ;
dbp:inchikey "InChIKey=OQZCSNDVOWYALR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002336 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurcrdn" ;
skos:prefLabel "flurochloridon"@nl .
csc:ZIBGPFATKBEMQZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8172 ;
dbo:casNumber "676-18-6" , "121202-29-7" , "118662-30-9" , "112-27-6" ;
dbo:formula "C6H14O4" ;
dbo:inchi "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2" ;
dbo:iupacName "2-[2-(2-hydroxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8172"^^xsd:int ;
dbo:smiles "C(COCCOCCO)O" ;
dbp:inchikey "InChIKey=ZIBGPFATKBEMQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yegcl" ;
skos:prefLabel "triethyleenglycol"@nl .
csc:CIOAGBVUUVVLOB-OIOBTWANSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5464271 ;
dbo:casNumber "13967-73-2" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1-3" ;
dbo:iupacName "strontium-85"@en ;
dbo:pubchem "5464271"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "InChIKey=CIOAGBVUUVVLOB-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr85" ;
skos:prefLabel "strontium 85"@nl .
csc:CHEMONTID_0001368
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001368 ;
skos:definition "Organic compounds containing a functional group with the general structure OC(=S)NR2 or SC(=O)NR2."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MWBPRDONLNQCFV-UHFFFAOYSA-N , csc:SGEJQUSYQTVSIU-UHFFFAOYSA-N , csc:GUVLYNGULCJVDO-UHFFFAOYSA-N , csc:DFCAFRGABIXSDS-UHFFFAOYSA-N , csc:SPANOECCGNXGNR-UITAMQMPSA-N , csc:NMFAMPYSJHIYMR-UHFFFAOYSA-N , csc:BMTAFVWTTFSTOG-UHFFFAOYSA-N , csc:OKUGPJPKMAEJOE-UHFFFAOYSA-N , csc:WARIWGPBHKPYON-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001368" ;
skos:prefLabel "Thiocarbamic acid derivatives"@en .
csc:XOKCJXZZNAUIQN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:414 ;
dbo:casNumber "34834-67-8" , "27323-64-4" , "37096-14-3" , "79581-34-3" ;
dbo:formula "C10H12N2O2" ;
dbo:inchi "InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3" ;
dbo:iupacName "3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one"@en ;
dbo:pubchem "414"^^xsd:int ;
dbo:smiles "CN1C(CC(C1=O)O)C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=XOKCJXZZNAUIQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HOxctnne" ;
skos:prefLabel "hydroxycotinine"@nl .
csc:HWCKGOZZJDHMNC-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6285 ;
dbo:casNumber "65129-11-5" , "71-91-0" , "65129-07-9" ;
dbo:formula "C8H20BrN" ;
dbo:inchi "InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetraethylazanium bromide"@en ;
dbo:pubchem "6285"^^xsd:int ;
dbo:smiles "CC[N+](CC)(CC)CC.[Br-]" ;
dbp:inchikey "InChIKey=HWCKGOZZJDHMNC-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yeNHBr" ;
skos:prefLabel "tetraethylammonium bromide"@nl .
csc:CHEMONTID_0001994
skos:narrower csc:ZOWMRHVAQGTFTG-UHFFFAOYSA-N .
csc:VLHZQNGNJQYAIZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29777 ;
dbo:casNumber "19781-73-8" ;
dbo:formula "C23H46" ;
dbo:inchi "InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3" ;
dbo:iupacName "HEPTADECYLCYCLOHEXANE"@en ;
dbo:pubchem "29777"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC1CCCCC1" ;
dbp:inchikey "InChIKey=VLHZQNGNJQYAIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nC17yccC6a" ;
skos:prefLabel "n-heptadecylcyclohexaan"@nl .
csc:LPDSNGAFAJYVKH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033870 ;
dbo:casNumber "1331-47-1" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-11-9(5-6-10(16)12(11)14)7-1-3-8(15)4-2-7/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-aminophenyl)-2,3-dichloroaniline"@en ;
dbo:pubchem "3033870"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "InChIKey=LPDSNGAFAJYVKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003955 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClbzdne" ;
skos:prefLabel "dichloorbenzidine"@nl .
csc:GVEDOIATHPCYGS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11931 ;
dbo:casNumber "612-75-9" ;
dbo:formula "C14H14" ;
dbo:inchi "InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-3-(3-methylphenyl)benzene"@en ;
dbo:pubchem "11931"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C2=CC=CC(=C2)C" ;
dbp:inchikey "InChIKey=GVEDOIATHPCYGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1ybiFy" ;
skos:prefLabel "3,3'-dimethylbifenyl"@nl .
csc:PHVNLLCAQHGNKU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41385 ;
dbo:casNumber "55290-64-7" ;
dbo:formula "C6H10O4S2" ;
dbo:inchi "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3" ;
dbo:iupacName "2,3-dimethyl-5,6-dihydro-1,4-dithiine 1,1,4,4-tetraoxide"@en ;
dbo:pubchem "41385"^^xsd:int ;
dbo:smiles "CC1=C(S(=O)(=O)CCS1(=O)=O)C" ;
dbp:inchikey "InChIKey=PHVNLLCAQHGNKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtpn" ;
skos:prefLabel "dimethipin"@nl .
csc:CHEMONTID_0003260
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003260 ;
skos:definition "Organosulfur compounds a sulfenyl group with the general formula RS (R = organyl)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:NPNIZCVKXVRCHF-UHFFFAOYSA-N , csc:CTPKSRZFJSJGML-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0003260" ;
skos:prefLabel "Sulfenyl compounds"@en .
csc:CHEMONTID_0000284
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000284 ;
skos:definition "Organic compounds containing an aminobenzene moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BXCUMAUHMPSRPZ-UHFFFAOYSA-N , csc:RRJUYQOFOMFVQS-UHFFFAOYSA-N , csc:PNPCRKVUWYDDST-UHFFFAOYSA-N , csc:FOYHNROGBXVLLX-UHFFFAOYSA-N , csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N , csc:QSNSCYSYFYORTR-UHFFFAOYSA-N , csc:GUMCAKKKNKYFEB-UHFFFAOYSA-N , csc:WUYJXWRFOUCHEB-UHFFFAOYSA-N , csc:CBCKQZAAMUWICA-UHFFFAOYSA-N , csc:LXCLPHJRGDTDDB-UHFFFAOYSA-N , csc:IMHBYKMAHXWHRP-UHFFFAOYSA-N , csc:RIIWUGSYXOBDMC-UHFFFAOYSA-N , csc:OIJHFHYPXWSVPF-UHFFFAOYSA-N , csc:KHCZSJXTDDHLGJ-UHFFFAOYSA-N , csc:BMIPMKQAAJKBKP-UHFFFAOYSA-N , csc:RLIPQCDHACHPJW-UHFFFAOYSA-N , csc:XOGYQVITULCUGU-UHFFFAOYSA-N , csc:WDFQBORIUYODSI-UHFFFAOYSA-N , csc:GEYOCULIXLDCMW-UHFFFAOYSA-N , csc:DMBHHRLKUKUOEG-UHFFFAOYSA-N , csc:ZJMMPUVJZQBMEM-UHFFFAOYSA-N , csc:GBKZRUCVLTWAML-UHFFFAOYSA-N , csc:YSEMCVGMNUUNRK-UHFFFAOYSA-N , csc:CIFWZNRJIBNXRE-UHFFFAOYSA-N , csc:AKCRQHGQIJBRMN-UHFFFAOYSA-N , csc:YTDHEFNWWHSXSU-UHFFFAOYSA-N , csc:NATVSFWWYVJTAZ-UHFFFAOYSA-N , csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N , csc:HAORKNGNJCEJBX-UHFFFAOYSA-N , csc:WZCQRUWWHSTZEM-UHFFFAOYSA-N , csc:QAPVYZRWKDXNDK-UHFFFAOYSA-N , csc:MOTBXEPLFOLWHZ-UHFFFAOYSA-N , csc:IYXMNTLBLQNMLM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000284" ;
skos:prefLabel "Aniline and substituted anilines"@en .
csc:OQDXASJSCOTNQS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9146 ;
dbo:casNumber "56832-73-6" , "203-33-8" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene"@en ;
dbo:pubchem "9146"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC=C54" ;
dbp:inchikey "InChIKey=OQDXASJSCOTNQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000018 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BaF" ;
skos:prefLabel "benzo(a)fluorantheen"@nl .
csc:VWVSBHGCDBMOOT-OKPPOTDYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9793 ;
dbo:casNumber "382-67-2" ;
dbo:formula "C22H29FO4" ;
dbo:inchi "InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1" ;
dbo:iupacName "(9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9793"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C" ;
dbp:inchikey "InChIKey=VWVSBHGCDBMOOT-OKPPOTDYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desOxmtsn" ;
skos:prefLabel "desoximetason"@nl .
csc:QORAVNMWUNPXAO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17097 ;
dbo:casNumber "53469-21-9" , "11104-29-3" , "2437-79-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H" ;
dbo:iupacName "2,4-dichloro-1-(2,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "17097"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=QORAVNMWUNPXAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB47" ;
skos:prefLabel "2,2',4,4'-tetrachloorbifenyl"@nl .
csc:CHEMONTID_0000199
skos:narrower csc:WSPOMRSOLSGNFJ-AUWJEWJLSA-N , csc:NJMYODHXAKYRHW-DVZOWYKESA-N .
csc:JGSARLDLIJGVTE-MBNYWOFBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5904 ;
dbo:casNumber "61-33-6" ;
dbo:formula "C16H18N2O4S" ;
dbo:inchi "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "5904"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C" ;
dbp:inchikey "InChIKey=JGSARLDLIJGVTE-MBNYWOFBSA-N" ;
skos:altLabel "penicilline g"@nl , "benzylpenicilline"@nl ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penclnG" ;
skos:prefLabel "penicilline G"@nl .
csc:MTCPZNVSDFCBBE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91662 ;
dbo:casNumber "56558-16-8" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H" ;
dbo:iupacName "1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene"@en ;
dbo:pubchem "91662"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MTCPZNVSDFCBBE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB104" ;
skos:prefLabel "2,2',4,6,6'-pentachloorbifenyl"@nl .
csc:HSSBORCLYSCBJR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8630 ;
dbo:casNumber "133-90-4" ;
dbo:formula "C7H5Cl2NO2" ;
dbo:inchi "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)" ;
dbo:iupacName "3-Amino-2,5-dichlorobenzoic acid"@en ;
dbo:pubchem "8630"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl" ;
dbp:inchikey "InChIKey=HSSBORCLYSCBJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Ao25DClbzez" ;
skos:prefLabel "3-amino-2,5-dichloor-benzoezuur"@nl .
csc:WCIMWHNSWLLELS-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14663 ;
dbo:casNumber "1225-20-3" , "15845-98-4" , "2276-90-6" ;
dbo:formula "C11H8I3N2NaO4" ;
dbo:inchi "InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1" ;
dbo:iupacName "sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate"@en ;
dbo:pubchem "14663"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]" ;
dbp:inchikey "InChIKey=WCIMWHNSWLLELS-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jotlmnzr" ;
skos:prefLabel "jotalaminezuur"@nl .
csc:CHEMONTID_0004323
skos:narrower csc:WHUUTDBJXJRKMK-UHFFFAOYSA-N , csc:FBOZXECLQNJBKD-ZDUSSCGKSA-N .
csc:METKIMKYRPQLGS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2249 ;
dbo:casNumber "29122-68-7" , "60966-51-0" ;
dbo:formula "C14H22N2O3" ;
dbo:inchi "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)" ;
dbo:iupacName "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide"@en ;
dbo:pubchem "2249"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O" ;
dbp:inchikey "InChIKey=METKIMKYRPQLGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002363 ;
skos:exactMatch wise:CAS_29122-68-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atnll" ;
skos:prefLabel "atenolol"@nl ;
vcs:vmmParameterId "1394"^^xsd:int .
csc:XOXHILFPRYWFOD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6634 ;
dbo:casNumber "80-32-0" ;
dbo:formula "C10H9ClN4O2S" ;
dbo:inchi "InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)" ;
dbo:iupacName "4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "6634"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=XOXHILFPRYWFOD-UHFFFAOYSA-N" ;
skos:altLabel "sulfachloorpyridazine"@nl ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfClprdzne" ;
skos:prefLabel "sulfachloropyridazine"@nl .
csc:YPXOPAFVVHXQDP-ZZEZOPTASA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5809936 ;
dbo:casNumber "3118-97-6" ;
dbo:formula "C18H16N2O" ;
dbo:inchi "InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-" ;
dbo:iupacName "['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one']"@en ;
dbo:pubchem "5809936"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)C" ;
dbp:inchikey "InChIKey=YPXOPAFVVHXQDP-ZZEZOPTASA-N" ;
skos:altLabel "c.i. solvent orange 7"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cisoe7" ;
skos:prefLabel "C.I. Solvent Orange 7"@nl .
csc:CHEMONTID_0001973
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001973 ;
skos:definition "Organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:IOUNQDKNJZEDEP-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001973" ;
skos:prefLabel "Benzoxazolones"@en .
csc:JZFZCLFEPXCRCA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93442 ;
dbo:casNumber "74472-40-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(16)11(17)12(10)18/h1-4H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene"@en ;
dbo:pubchem "93442"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JZFZCLFEPXCRCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB145" ;
skos:prefLabel "2,2',3,4,6,6'-hexachloorbifenyl"@nl .
csc:CEAZRRDELHUEMR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3467 ;
dbo:casNumber "1403-66-3" ;
dbo:formula "C21H43N5O7" ;
dbo:inchi "InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3" ;
dbo:iupacName "2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol"@en ;
dbo:pubchem "3467"^^xsd:int ;
dbo:smiles "CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC" ;
dbp:inchikey "InChIKey=CEAZRRDELHUEMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001675 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gentmcne" ;
skos:prefLabel "gentamycine"@nl .
csc:RTDCJKARQCRONF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25418 ;
dbo:casNumber "10595-95-6" ;
dbo:formula "C3H8N2O" ;
dbo:inchi "InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3" ;
dbo:iupacName "N-ethyl-N-methylnitrous amide"@en ;
dbo:pubchem "25418"^^xsd:int ;
dbo:smiles "CCN(C)N=O" ;
dbp:inchikey "InChIKey=RTDCJKARQCRONF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC2yNOAe" ;
skos:prefLabel "methylethylnitrosamine"@nl .
csc:CHEMONTID_0004238
skos:narrower csc:SPTHHTGLGVZZRH-UHFFFAOYSA-N .
csc:CHEMONTID_0002012
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002012 ;
skos:definition "Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZXFXBSWRVIQKOD-UHFFFAOYSA-N , csc:WEEGYLXZBRQIMU-WAAGHKOSSA-N , csc:VWGNQYSIWFHEQU-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002012" ;
skos:prefLabel "Oxanes"@en .
csc:IUYHQGMDSZOPDZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41541 ;
dbo:casNumber "25323-68-6" , "55702-46-0" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H" ;
dbo:iupacName "1,2,3-trichloro-4-phenylbenzene"@en ;
dbo:pubchem "41541"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IUYHQGMDSZOPDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB21" ;
skos:prefLabel "2,3,4-trichloorbifenyl"@nl .
csc:CYRHBNRLQMLULE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:45472 ;
dbo:casNumber "139749-52-3" , "66169-95-7" , "63936-56-1" , "68928-79-0" , "64589-00-0" ;
dbo:formula "C12HBr9O" ;
dbo:inchi "InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene"@en ;
dbo:pubchem "45472"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=CYRHBNRLQMLULE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "nonabroomdifenylether"@nl .
csc:CHEMONTID_0001888
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001888 ;
skos:definition "Organic compounds containing a gamma-sultone, a Intramolecular cyclic ester of hydroxy sulfonic acid, with a SO ring bond, and three ring carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FSSPGSAQUIYDCN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001888" ;
skos:prefLabel "Gamma sultones"@en .
csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7474 ;
dbo:casNumber "100-00-5" ;
dbo:formula "C6H4ClNO2" ;
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H" ;
dbo:iupacName "1-Chloro-4-nitrobenzene"@en ;
dbo:pubchem "7474"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=CZGCEKJOLUNIFY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_100-00-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl4NO2Ben" ;
skos:prefLabel "1-chloor-4-nitrobenzeen"@nl ;
vcs:vmmParameterId "333"^^xsd:int .
csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6386 ;
dbo:casNumber "75-65-0" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3" ;
dbo:iupacName "2-Methylpropan-2-ol"@en ;
dbo:pubchem "6386"^^xsd:int ;
dbo:smiles "CC(C)(C)O" ;
dbp:inchikey "InChIKey=DKGAVHZHDRPRBM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_009 ;
skos:altLabel "tertiair-butanol"@nl ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4ol" ;
skos:prefLabel "t-butanol"@nl .
csc:MFSWTRQUCLNFOM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50896 ;
dbo:casNumber "86510-80-7" , "114180-25-5" , "69806-40-2" ;
dbo:formula "C16H13ClF3NO4" ;
dbo:inchi "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3" ;
dbo:iupacName "methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "50896"^^xsd:int ;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=MFSWTRQUCLNFOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfC1y" ;
skos:prefLabel "haloxyfop-methyl"@nl .
csc:CHEMONTID_0000178
skos:narrower csc:OTFDPNXIVHBTKW-UHFFFAOYSA-N , csc:KXDAEFPNCMNJSK-UHFFFAOYSA-N , csc:DJBNUMBKLMJRSA-UHFFFAOYSA-N .
csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7204 ;
dbo:casNumber "94-74-6" , "50926-55-1" , "11111-13-0" , "11111-14-1" ;
dbo:formula "C9H9ClO3" ;
dbo:inchi "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)" ;
dbo:iupacName "2-(4-chloro-2-methylphenoxy)acetic acid"@en ;
dbo:pubchem "7204"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCC(=O)O" ;
dbp:inchikey "InChIKey=WHKUVVPPKQRRBV-UHFFFAOYSA-N" ;
skos:altLabel "2-methyl-4-chloorfenoxyazijnzuur"@nl , "mcpa"@nl , "(4-chloor-2methylfenoxy)azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_94-74-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPA" ;
skos:prefLabel "(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)"@nl ;
vcs:vmmParameterId "252"^^xsd:int .
csc:HAYXDMNJJFVXCI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104737 ;
dbo:casNumber "17428-41-0" ;
dbo:formula "As+5" ;
dbo:inchi "InChI=1S/As/q+5" ;
dbo:iupacName "arsenic(+5) cation"@en ;
dbo:pubchem "104737"^^xsd:int ;
dbo:smiles "[As+5]" ;
dbp:inchikey "InChIKey=HAYXDMNJJFVXCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsV" ;
skos:prefLabel "arseen (vijfwaardig)"@nl .
csc:BDCFWIDZNLCTMF-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12053 ;
dbo:casNumber "617-94-7" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3" ;
dbo:iupacName "2-Phenylpropan-2-ol"@en ;
dbo:pubchem "12053"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=CC=C1)O" ;
dbp:inchikey "InChIKey=BDCFWIDZNLCTMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyiC3ol" ;
skos:prefLabel "2-fenylisopropanol"@nl .
csc:CNQCVBJFEGMYDW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31192 ;
dbo:casNumber "22537-19-5" ;
dbo:formula "Lr" ;
dbo:inchi "InChI=1S/Lr" ;
dbo:iupacName "LAWRENCIUM"@en ;
dbo:pubchem "31192"^^xsd:int ;
dbo:smiles "[Lr]" ;
dbp:inchikey "InChIKey=CNQCVBJFEGMYDW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lr" ;
skos:prefLabel "lawrencium"@nl .
csc:GKOZUEZYRPOHIO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23924 ;
dbo:casNumber "7439-88-5" , "22542-08-1" ;
dbo:formula "Ir" ;
dbo:inchi "InChI=1S/Ir" ;
dbo:iupacName "IRIDIUM"@en ;
dbo:pubchem "23924"^^xsd:int ;
dbo:smiles "[Ir]" ;
dbp:inchikey "InChIKey=GKOZUEZYRPOHIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ir" ;
skos:prefLabel "iridium"@nl .
csc:CHEMONTID_0000242
skos:narrower csc:VAOCPAMSLUNLGC-UHFFFAOYSA-N , csc:PQFRTXSWDXZRRS-UHFFFAOYSA-N , csc:IBXPYPUJPLLOIN-UHFFFAOYSA-N , csc:FFYTTYVSDVWNMY-UHFFFAOYSA-N .
csc:GNPUIRFDBYALRI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19591 ;
dbo:casNumber "3770-48-7" ;
dbo:formula "C13H11N" ;
dbo:inchi "InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3" ;
dbo:iupacName "4-Methyl-9H-carbazole"@en ;
dbo:pubchem "19591"^^xsd:int ;
dbo:smiles "CC1=C2C3=CC=CC=C3NC2=CC=C1" ;
dbp:inchikey "InChIKey=GNPUIRFDBYALRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1ycarbzl" ;
skos:prefLabel "4-methylcarbazol"@nl .
csc:ZSLUVFAKFWKJRC-AHCXROLUSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61724 ;
dbo:casNumber "14274-82-9" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-4" ;
dbo:iupacName "thorium-228"@en ;
dbo:pubchem "61724"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th228" ;
skos:prefLabel "thorium 228"@nl .
csc:PORWMNRCUJJQNO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6327182 ;
dbo:casNumber "137322-20-4" , "13494-80-9" ;
dbo:formula "Te" ;
dbo:inchi "InChI=1S/Te" ;
dbo:iupacName "TELLURIUM"@en ;
dbo:pubchem "6327182"^^xsd:int ;
dbo:smiles "[Te]" ;
dbp:inchikey "InChIKey=PORWMNRCUJJQNO-UHFFFAOYSA-N" ;
skos:altLabel "tellurium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Te" ;
skos:prefLabel "tellurium"@nl .
csc:KHQDWCKZXLWDNM-KPKJPENVSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6438196 ;
dbo:casNumber "28219-61-6" ;
dbo:formula "C14H24O" ;
dbo:inchi "InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+" ;
dbo:iupacName "(E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol"@en ;
dbo:pubchem "6438196"^^xsd:int ;
dbo:smiles "CCC(=CCC1CC=C(C1(C)C)C)CO" ;
dbp:inchikey "InChIKey=KHQDWCKZXLWDNM-KPKJPENVSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ETCB" ;
skos:prefLabel "sandacanol"@nl .
csc:XTEGVFVZDVNBPF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6666 ;
dbo:casNumber "81-04-9" , "46874-44-6" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "naphthalene-1,5-disulfonic acid"@en ;
dbo:pubchem "6666"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=XTEGVFVZDVNBPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "15NafDsfzr" ;
skos:prefLabel "1,5-naftaleendisulfonzuur"@nl .
csc:WURBVZBTWMNKQT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39385 ;
dbo:casNumber "93779-51-2" , "43121-43-3" ;
dbo:formula "C14H16ClN3O2" ;
dbo:inchi "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one"@en ;
dbo:pubchem "39385"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=WURBVZBTWMNKQT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tadmfn" ;
skos:prefLabel "triadimefon"@nl .
csc:CHEMONTID_0004758
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004758 ;
skos:definition "Aromatic heterocyclic compounds containing a furan ring, which carries a carboxyl group or a derivative thereof."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004758" ;
skos:prefLabel "Furoic acid and derivatives"@en .
csc:GWXLDORMOJMVQZ-BJUDXGSMSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:166969 ;
dbo:casNumber "13982-30-4" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce/i1-1" ;
dbo:iupacName "cerium-139"@en ;
dbo:pubchem "166969"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "InChIKey=GWXLDORMOJMVQZ-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce139" ;
skos:prefLabel "cerium 139"@nl .
csc:UHOVQNZJYSORNB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 2.5.3"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR II (D2) diverse art."@nl , "VLAR III (D3, diverse art) "@nl ;
rdfs:seeAlso compound:241 ;
dbo:casNumber "174973-66-1" , "27271-55-2" , "26181-88-4" , "68956-52-5" , "71-43-2" , "54682-86-9" ;
dbo:formula "C6H6" ;
dbo:inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" ;
dbo:iupacName "BENZENE"@en ;
dbo:pubchem "241"^^xsd:int ;
dbo:smiles "C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_71-43-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ben" ;
skos:prefLabel "benzeen"@nl ;
vcs:vmmParameterId "212"^^xsd:int .
csc:BZLVMXJERCGZMT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15413 ;
dbo:casNumber "1634-04-4" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3" ;
dbo:iupacName "2-Methoxy-2-methylpropane"@en ;
dbo:pubchem "15413"^^xsd:int ;
dbo:smiles "CC(C)(C)OC" ;
dbp:inchikey "InChIKey=BZLVMXJERCGZMT-UHFFFAOYSA-N" ;
skos:altLabel "methyl-tert.butyl-ether (mtbe)"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:exactMatch wise:CAS_1634-04-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yttC4yEtr" ;
skos:prefLabel "methyl-tertiair-butylether"@nl ;
vcs:vmmParameterId "878"^^xsd:int .
csc:OSUHJPCHFDQAIT-GFCCVEGCSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1617113 ;
dbo:casNumber "100646-51-3" ;
dbo:formula "C19H17ClN2O4" ;
dbo:inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1" ;
dbo:iupacName "ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "1617113"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "InChIKey=OSUHJPCHFDQAIT-GFCCVEGCSA-N" ;
skos:altLabel "quizalofop-P-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfPC2y" ;
skos:prefLabel "quizalofop-p-ethyl"@nl .
csc:JMMWKPVZQRWMSS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7915 ;
dbo:casNumber "108-21-4" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3" ;
dbo:iupacName "propan-2-yl acetate"@en ;
dbo:pubchem "7915"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C" ;
dbp:inchikey "InChIKey=JMMWKPVZQRWMSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yactt" ;
skos:prefLabel "isopropylacetaat"@nl .
csc:ZMRUPTIKESYGQW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62882 ;
dbo:casNumber "318-98-9" ;
dbo:formula "C16H22ClNO2" ;
dbo:inchi "InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H" ;
dbo:iupacName "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride"@en ;
dbo:pubchem "62882"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl" ;
dbp:inchikey "InChIKey=ZMRUPTIKESYGQW-UHFFFAOYSA-N" ;
skos:altLabel "propanolol, waterstofchloride"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnllHCL" ;
skos:prefLabel "propranolol-hydrochloride"@nl .
csc:XSXIVVZCUAHUJO-HZJYTTRNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6439848 ;
dbo:casNumber "5598-38-9" ;
dbo:formula "C20H36O2" ;
dbo:inchi "InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-" ;
dbo:iupacName "(11Z,14Z)-icosa-11,14-dienoic acid"@en ;
dbo:pubchem "6439848"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=XSXIVVZCUAHUJO-HZJYTTRNSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1114C20aDzr" ;
skos:prefLabel "cis-11,14-eicosadieenzuur"@nl .
csc:CHEMONTID_0001846
skos:narrower csc:ZGLBGXHBFHCOAF-NBVRZTHBSA-N , csc:CPJSUEIXXCENMM-UHFFFAOYSA-N .
csc:ZFDIRQKJPRINOQ-HYXAFXHYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5354263 ;
dbo:casNumber "10544-63-5" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-" ;
dbo:iupacName "ethyl (Z)-but-2-enoate"@en ;
dbo:pubchem "5354263"^^xsd:int ;
dbo:smiles "CCOC(=O)C=CC" ;
dbp:inchikey "InChIKey=ZFDIRQKJPRINOQ-HYXAFXHYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yctnt" ;
skos:prefLabel "ethylcrotonaat"@nl .
csc:UGNWTBMOAKPKBL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8371 ;
dbo:casNumber "118-75-2" , "142655-99-0" ;
dbo:formula "C6Cl4O2" ;
dbo:inchi "InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11" ;
dbo:iupacName "2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "8371"^^xsd:int ;
dbo:smiles "C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UGNWTBMOAKPKBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chloranl" ;
skos:prefLabel "chloranil"@nl .
csc:GADNZGQWPNTMCH-NTMALXAHSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6386353 ;
dbo:casNumber "34880-43-8" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-" ;
dbo:iupacName "(Z)-2-propylhept-2-enal"@en ;
dbo:pubchem "6386353"^^xsd:int ;
dbo:smiles "CCCCC=C(CCC)C=O" ;
dbp:inchikey "InChIKey=GADNZGQWPNTMCH-NTMALXAHSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3y2C7eal" ;
skos:prefLabel "2-propyl-2-heptenal"@nl .
csc:CHEMONTID_0001363
skos:narrower csc:SHOJXDKTYKFBRD-UHFFFAOYSA-N , csc:LABTWGUMFABVFG-ONEGZZNKSA-N .
csc:CHEMONTID_0000136
skos:narrower csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N .
csc:SLCGUGMPSUYJAY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31068 ;
dbo:casNumber "33878-50-1" , "22212-55-1" , "38561-59-0" , "20453-96-7" ;
dbo:formula "C18H17Cl2NO3" ;
dbo:inchi "InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3" ;
dbo:iupacName "ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate"@en ;
dbo:pubchem "31068"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=SLCGUGMPSUYJAY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzyppC2y" ;
skos:prefLabel "benzoylprop-ethyl"@nl .
csc:QGMRQYFBGABWDR-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5982 ;
dbo:casNumber "10579-81-4" , "57-33-0" , "23714-57-0" , "8050-99-5" , "8023-11-8" ;
dbo:formula "C11H17N2NaO3" ;
dbo:inchi "InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1" ;
dbo:iupacName "['sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate', 'sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione', 'sodium 5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate']"@en ;
dbo:pubchem "5982"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]" ;
dbp:inchikey "InChIKey=QGMRQYFBGABWDR-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pentbbtNa" ;
skos:prefLabel "pentobarbital-natrium"@nl .
csc:CYRMSUTZVYGINF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6389 ;
dbo:casNumber "75-69-4" , "62185-70-0" , "91315-61-6" , "83589-40-6" , "79620-41-0" ;
dbo:formula "CCl3F" ;
dbo:inchi "InChI=1S/CCl3F/c2-1(3,4)5" ;
dbo:iupacName "trichloro-fluoromethane"@en ;
dbo:pubchem "6389"^^xsd:int ;
dbo:smiles "C(F)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=CYRMSUTZVYGINF-UHFFFAOYSA-N" ;
skos:altLabel "trichloorfluormethaan "@nl ;
skos:broader csc:CHEMONTID_0004521 ;
skos:exactMatch wise:CAS_75-69-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK11" ;
skos:prefLabel "trichloorfluormethaan"@nl ;
vcs:vmmParameterId "387"^^xsd:int .
csc:RMMXTBMQSGEXHJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6009 ;
dbo:casNumber "144574-10-7" , "58-15-1" ;
dbo:formula "C13H17N3O" ;
dbo:inchi "InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3" ;
dbo:iupacName "4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one"@en ;
dbo:pubchem "6009"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C" ;
dbp:inchikey "InChIKey=RMMXTBMQSGEXHJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Aofnzn" ;
skos:prefLabel "aminofenazon"@nl .
csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6584 ;
dbo:casNumber "79-20-9" ;
dbo:formula "C3H6O2" ;
dbo:inchi "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3" ;
dbo:iupacName "METHYL ACETATE"@en ;
dbo:pubchem "6584"^^xsd:int ;
dbo:smiles "CC(=O)OC" ;
dbp:inchikey "InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yactt" ;
skos:prefLabel "methylacetaat"@nl .
csc:LGPPATCNSOSOQH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69636 ;
dbo:casNumber "685-63-2" ;
dbo:formula "C4F6" ;
dbo:inchi "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10" ;
dbo:iupacName "1,1,2,3,4,4-Hexafluorobuta-1,3-diene"@en ;
dbo:pubchem "69636"^^xsd:int ;
dbo:smiles "C(=C(F)F)(C(=C(F)F)F)F" ;
dbp:inchikey "InChIKey=LGPPATCNSOSOQH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxF13btDen" ;
skos:prefLabel "hexafluor-1,3-butadieen"@nl .
csc:SWFNPENEBHAHEB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7265 ;
dbo:casNumber "95-85-2" ;
dbo:formula "C6H6ClNO" ;
dbo:inchi "InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2" ;
dbo:iupacName "2-Amino-4-chlorophenol"@en ;
dbo:pubchem "7265"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)N)O" ;
dbp:inchikey "InChIKey=SWFNPENEBHAHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_95-85-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao4ClFol" ;
skos:prefLabel "2-amino-4-chloorfenol"@nl ;
vcs:vmmParameterId "348"^^xsd:int .
csc:BTFJIXJJCSYFAL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12404 ;
dbo:casNumber "28679-05-2" , "629-96-9" ;
dbo:formula "C20H42O" ;
dbo:inchi "InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3" ;
dbo:iupacName "Icosan-1-ol"@en ;
dbo:pubchem "12404"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCO" ;
dbp:inchikey "InChIKey=BTFJIXJJCSYFAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C20ol" ;
skos:prefLabel "1-eicosanol"@nl .
csc:CHEMONTID_0000200
skos:narrower csc:VYXSBFYARXAAKO-UHFFFAOYSA-N , csc:MTVNAPYHLASOSX-UHFFFAOYSA-N .
csc:CHEMONTID_0000194
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000194 ;
skos:definition "Compounds containing a furan ring which bears a nitro group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PLHJDBGFXBMTGZ-WEVVVXLNSA-N ;
skos:notation "CHEMONTID:0000194" ;
skos:prefLabel "Nitrofurans"@en .
csc:GKLVYJBZJHMRIY-YPZZEJLDSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167171 ;
dbo:casNumber "14808-44-7" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1-2" ;
dbo:iupacName "technetium-96"@en ;
dbo:pubchem "167171"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "InChIKey=GKLVYJBZJHMRIY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc96" ;
skos:prefLabel "technetium 96"@nl .
csc:UYAHIZSMUZPPFV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23980 ;
dbo:casNumber "7440-52-0" , "110424-79-8" ;
dbo:formula "Er" ;
dbo:inchi "InChI=1S/Er" ;
dbo:iupacName "ERBIUM"@en ;
dbo:pubchem "23980"^^xsd:int ;
dbo:smiles "[Er]" ;
dbp:inchikey "InChIKey=UYAHIZSMUZPPFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Er" ;
skos:prefLabel "erbium"@nl .
csc:CHEMONTID_0003568
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003568 ;
skos:definition "Steroids with a structure based on the 19-carbon androstane skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003568" ;
skos:prefLabel "Androstane steroids"@en .
csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86418 ;
dbo:casNumber "105827-78-9" , "138261-41-3" ;
dbo:formula "C9H10ClN5O2" ;
dbo:inchi "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)" ;
dbo:iupacName "N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide"@en ;
dbo:pubchem "86418"^^xsd:int ;
dbo:smiles "C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=YWTYJOPNNQFBPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004667 ;
skos:exactMatch wise:CAS_138261-41-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imdcpd" ;
skos:prefLabel "imidacloprid"@nl ;
vcs:vmmParameterId "1440"^^xsd:int .
csc:WABPQHHGFIMREM-RNFDNDRNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6337094 ;
dbo:casNumber "15816-77-0" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+4" ;
dbo:iupacName "lead-211"@en ;
dbo:pubchem "6337094"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "InChIKey=WABPQHHGFIMREM-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb211" ;
skos:prefLabel "lood 211"@nl .
csc:DYSXLQBUUOPLBB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11761 ;
dbo:casNumber "602-01-7" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "1-Methyl-2,3-dinitrobenzene"@en ;
dbo:pubchem "11761"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=DYSXLQBUUOPLBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DNO2Tol" ;
skos:prefLabel "2,3-dinitrotolueen"@nl .
csc:YZBLFMPOMVTDJY-BFPKLJSTSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9571036 ;
dbo:casNumber "119719-24-3" , "113507-06-5" ;
dbo:formula "C37H53NO8" ;
dbo:inchi "InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33?,34+,36-,37+/m0/s1" ;
dbo:iupacName "(1R,4S,4'E,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "9571036"^^xsd:int ;
dbo:smiles "CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C" ;
dbp:inchikey "InChIKey=YZBLFMPOMVTDJY-BFPKLJSTSA-N" ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "moxdtn" ;
skos:prefLabel "moxidectin"@nl .
csc:WZCQRUWWHSTZEM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7935 ;
dbo:casNumber "108-45-2" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,3-diamine"@en ;
dbo:pubchem "7935"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)N)N" ;
dbp:inchikey "InChIKey=WZCQRUWWHSTZEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DAoBen" ;
skos:prefLabel "1,3-diaminobenzeen"@nl .
csc:KJZYNXUDTRRSPN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23988 ;
dbo:casNumber "7440-60-0" , "24490-89-9" , "110444-52-5" ;
dbo:formula "Ho" ;
dbo:inchi "InChI=1S/Ho" ;
dbo:iupacName "HOLMIUM"@en ;
dbo:pubchem "23988"^^xsd:int ;
dbo:smiles "[Ho]" ;
dbp:inchikey "InChIKey=KJZYNXUDTRRSPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ho" ;
skos:prefLabel "holmium"@nl .
csc:VNWKTOKETHGBQD-NJFSPNSNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26873 ;
dbo:casNumber "14762-75-5" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4/i1+2" ;
dbo:iupacName "Carbane-14"@en ;
dbo:pubchem "26873"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "InChIKey=VNWKTOKETHGBQD-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14" ;
skos:prefLabel "koolstof 14"@nl .
csc:TVFDJXOCXUVLDH-AKLPVKDBSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335316 ;
dbo:casNumber "14234-29-8" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1+3" ;
dbo:iupacName "cesium-136"@en ;
dbo:pubchem "6335316"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs136" ;
skos:prefLabel "cesium 136"@nl .
csc:CHEMONTID_0002484
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002484 ;
skos:definition "Organic acids with the general formula RC(=N)-OH (R=H, organic group)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZHNUHDYFZUAESO-UHFFFAOYSA-N , csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N , csc:OHLUUHNLEMFGTQ-UHFFFAOYSA-N , csc:LYRFLYHAGKPMFH-UHFFFAOYSA-N , csc:DLFVBJFMPXGRIB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002484" ;
skos:prefLabel "Carboximidic acids"@en .
csc:CHEMONTID_0004233
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004233 ;
skos:definition "Aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JBCUKQQIWSWEOK-UHFFFAOYSA-N , csc:MLGCXEBRWGEOQX-UHFFFAOYSA-N , csc:GPAPPPVRLPGFEQ-UHFFFAOYSA-N , csc:LVNYJXIBJFXIRZ-UHFFFAOYSA-N , csc:OFCFYWOKHPOXKF-UHFFFAOYSA-N , csc:AYIRNRDRBQJXIF-NXEZZACHSA-N , csc:VPWNQTHUCYMVMZ-UHFFFAOYSA-N , csc:VUTHWSUXEOILTN-UHFFFAOYSA-N , csc:OTVAEFIXJLOWRX-NXEZZACHSA-N , csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N , csc:MQJKPEGWNLWLTK-UHFFFAOYSA-N , csc:KZTYYGOKRVBIMI-UHFFFAOYSA-N , csc:JCDWETOKTFWTHA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004233" ;
skos:prefLabel "Benzenesulfonyl compounds"@en .
csc:QTXVAVXCBMYBJW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6691 ;
dbo:casNumber "81-81-2" , "56573-89-8" , "5543-56-6" , "5543-57-7" ;
dbo:formula "C19H16O4" ;
dbo:inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3" ;
dbo:iupacName "2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one"@en ;
dbo:pubchem "6691"^^xsd:int ;
dbo:smiles "CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O" ;
dbp:inchikey "InChIKey=QTXVAVXCBMYBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001633 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "warfrn" ;
skos:prefLabel "warfarin"@nl .
csc:XLYOFNOQVPJJNP-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:962 ;
dbo:casNumber "17778-80-2" , "7732-18-5" , "14314-42-2" , "13670-17-2" , "558440-22-5" ;
dbo:formula "H2O" ;
dbo:inchi "InChI=1S/H2O/h1H2" ;
dbo:iupacName "oxidane"@en ;
dbo:pubchem "962"^^xsd:int ;
dbo:smiles "O" ;
dbp:inchikey "InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "O18-H2O" ;
skos:prefLabel "zuurstof18 water"@nl .
csc:BTFQKIATRPGRBS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10722 ;
dbo:casNumber "529-20-4" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3" ;
dbo:iupacName "2-Methylbenzaldehyde"@en ;
dbo:pubchem "10722"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C=O" ;
dbp:inchikey "InChIKey=BTFQKIATRPGRBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yBenAh" ;
skos:prefLabel "2-methyl-benzaldehyde"@nl .
csc:CHEMONTID_0004148
skos:narrower csc:ZRIKZVLHMGYCIR-NSHDSACASA-N .
csc:CHEMONTID_0000173
skos:narrower csc:YWKJNRNSJKEFMK-KJXIDEHUSA-N , csc:YHJDZIQOCSDIQU-OEDJVVDHSA-N , csc:ORFOPKXBNMVMKC-DWVKKRMSSA-N , csc:OKBVVJOGVLARMR-QSWIMTSFSA-N , csc:IOFHZPVEQXTSQW-BXUZGUMPSA-N , csc:FMZXNVLFJHCSAF-DNVCBOLYSA-N , csc:BOEGTKLJZSQCCD-UEKVPHQBSA-N .
csc:RDJGLLICXDHJDY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3342 ;
dbo:casNumber "31879-05-7" , "29679-58-1" ;
dbo:formula "C15H14O3" ;
dbo:inchi "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)" ;
dbo:iupacName "2-[3-(phenoxy)phenyl]propanoic acid"@en ;
dbo:pubchem "3342"^^xsd:int ;
dbo:smiles "CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "InChIKey=RDJGLLICXDHJDY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenpfn" ;
skos:prefLabel "fenoprofen"@nl .
csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7289 ;
dbo:casNumber "148584-48-9" , "96-23-1" , "26602-95-9" , "26545-73-3" , "27988-86-9" ;
dbo:formula "C3H6Cl2O" ;
dbo:inchi "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2" ;
dbo:iupacName "1,3-Dichloropropan-2-ol"@en ;
dbo:pubchem "7289"^^xsd:int ;
dbo:smiles "C(C(CCl)O)Cl" ;
dbp:inchikey "InChIKey=DEWLEGDTCGBNGU-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dichloor-2-propanol"@nl ;
skos:broader csc:CHEMONTID_0002608 ;
skos:exactMatch wise:CAS_96-23-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClC3ol" , "13DCl2C3ol" ;
skos:prefLabel "dichloorpropanol"@nl ;
vcs:vmmParameterId "323"^^xsd:int .
csc:CHEMONTID_0001804
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001804 ;
skos:definition "Organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RUZMUTWCUZLWQU-UHFFFAOYSA-N , csc:IDCBOTIENDVCBQ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001804" ;
skos:prefLabel "Organic pyrophosphates"@en .
csc:RANCECPPZPIPNO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66 ;
dbo:casNumber "583-78-8" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H" ;
dbo:iupacName "2,5-dichlorophenol"@en ;
dbo:pubchem "66"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)O)Cl" ;
dbp:inchikey "InChIKey=RANCECPPZPIPNO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DClFol" ;
skos:prefLabel "2,5-dichloorfenol"@nl .
csc:LQOLIRLGBULYKD-JKIFEVAISA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6098 ;
dbo:casNumber "61-72-3" , "50763-55-8" , "8056-79-9" ;
dbo:formula "C19H18ClN3O5S" ;
dbo:inchi "InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6098"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=LQOLIRLGBULYKD-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloxclne" ;
skos:prefLabel "cloxacilline"@nl .
csc:YVBGRQLITPHVOP-UHFFFAOYSA-L
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26118 ;
dbo:casNumber "13573-18-7" ;
dbo:formula "H3Na2O10P3" ;
dbo:inchi "InChI=1S/2Na.H5O10P3/c;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2" ;
dbo:iupacName "disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate"@en ;
dbo:pubchem "26118"^^xsd:int ;
dbo:smiles "OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=YVBGRQLITPHVOP-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaTplPO4" ;
skos:prefLabel "natriumtripolyfosfaat"@nl .
csc:CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6999857 ;
dbo:casNumber "4536-23-6" ;
dbo:formula "C7H13O2-" ;
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1" ;
dbo:iupacName "(2R)-2-methylhexanoate"@en ;
dbo:pubchem "6999857"^^xsd:int ;
dbo:smiles "CCCCC(C)C(=O)[O-]" ;
dbp:inchikey "InChIKey=CVKMFSAVYPAZTQ-ZCFIWIBFSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC6azr" ;
skos:prefLabel "2-methylhexaanzuur"@nl .
csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2405 ;
dbo:casNumber "66722-44-9" ;
dbo:formula "C18H31NO4" ;
dbo:inchi "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3" ;
dbo:iupacName "1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol"@en ;
dbo:pubchem "2405"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O" ;
dbp:inchikey "InChIKey=VHYCDWMUTMEGQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bispll" ;
skos:prefLabel "bisoprolol"@nl .
csc:ZCTNDJSCLPJCRA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:49923 ;
dbo:casNumber "67517-48-0" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H" ;
dbo:iupacName "1,2,3,4,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "49923"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZCTNDJSCLPJCRA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF89" ;
skos:prefLabel "1,2,3,4,8-pentachloordibenzofuraan"@nl .
csc:HGLDOAKPQXAFKI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23997 ;
dbo:casNumber "7440-71-3" , "22541-43-1" ;
dbo:formula "Cf" ;
dbo:inchi "InChI=1S/Cf" ;
dbo:iupacName "CALIFORNIUM"@en ;
dbo:pubchem "23997"^^xsd:int ;
dbo:smiles "[Cf]" ;
dbp:inchikey "InChIKey=HGLDOAKPQXAFKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cf" ;
skos:prefLabel "californium"@nl .
csc:DIAQQISRBBDJIM-DRSCAGMXSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6437382 ;
dbo:casNumber "96180-79-9" ;
dbo:formula "C46H67N7O12" ;
dbo:inchi "InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1" ;
dbo:iupacName "(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6437382"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "InChIKey=DIAQQISRBBDJIM-DRSCAGMXSA-N" ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LA" ;
skos:prefLabel "microsystine-LA"@nl .
csc:CHEMONTID_0002463
skos:narrower csc:YYJNOYZRYGDPNH-MFKUBSTISA-N , csc:WRPIRSINYZBGPK-UHFFFAOYSA-N , csc:UFEODZBUAFNAEU-NLRVBDNBSA-N , csc:NQPDXQQQCQDHHW-UHFFFAOYSA-N .
csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:813 ;
dbo:casNumber "7440-09-7" , "24203-36-9" ;
dbo:formula "K+" ;
dbo:inchi "InChI=1S/K/q+1" ;
dbo:iupacName "potassium(+1) cation"@en ;
dbo:pubchem "813"^^xsd:int ;
dbo:smiles "[K+]" ;
dbp:inchikey "InChIKey=NPYPAHLBTDXSSS-UHFFFAOYSA-N" ;
skos:altLabel "kalium"@nl ;
skos:broader csc:CHEMONTID_0000425 ;
skos:exactMatch wise:CAS_7440-09-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "K" ;
skos:prefLabel "kalium, éénwaardig"@nl ;
vcs:vmmParameterId "744"^^xsd:int , "988"^^xsd:int , "1943"^^xsd:int , "1258"^^xsd:int .
csc:CHEMONTID_0004212
skos:narrower csc:WYWIFABBXFUGLM-UHFFFAOYSA-N , csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N .
csc:CHEMONTID_0001862
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001862 ;
skos:definition "Organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DNVLJEWNNDHELH-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001862" ;
skos:prefLabel "Trithianes"@en .
csc:KVBKAPANDHPRDG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31301 ;
dbo:casNumber "76199-55-8" , "124-73-2" ;
dbo:formula "C2Br2F4" ;
dbo:inchi "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8" ;
dbo:iupacName "1,2-Dibromo-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "31301"^^xsd:int ;
dbo:smiles "C(C(F)(F)Br)(F)(F)Br" ;
dbp:inchikey "InChIKey=KVBKAPANDHPRDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon2402" ;
skos:prefLabel "1,2-dibroomtetrafluorethaan"@nl .
csc:AXKZIDYFAMKWSA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13064 ;
dbo:casNumber "777-95-7" ;
dbo:formula "C10H16O4" ;
dbo:inchi "InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2" ;
dbo:iupacName "1,6-DIOXACYCLODODECANE-7,12-DIONE"@en ;
dbo:pubchem "13064"^^xsd:int ;
dbo:smiles "C1CCC(=O)OCCCCOC(=O)C1" ;
dbp:inchikey "InChIKey=AXKZIDYFAMKWSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16DOxccC12a7" ;
skos:prefLabel "1,6-dioxacyclododecaan-7,12-dion"@nl .
csc:WGYKZJWCGVVSQN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7852 ;
dbo:casNumber "68187-45-1" , "68130-69-8" , "68130-70-1" , "68187-43-9" , "42939-71-9" , "68187-44-0" , "107-10-8" ;
dbo:formula "C3H9N" ;
dbo:inchi "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3" ;
dbo:iupacName "Propan-1-amine"@en ;
dbo:pubchem "7852"^^xsd:int ;
dbo:smiles "CCCN" ;
dbp:inchikey "InChIKey=WGYKZJWCGVVSQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC3a" ;
skos:prefLabel "1-aminopropaan"@nl .
csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8076 ;
dbo:casNumber "96231-36-6" , "110-80-5" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3" ;
dbo:iupacName "2-Ethoxyethanol"@en ;
dbo:pubchem "8076"^^xsd:int ;
dbo:smiles "CCOCCO" ;
dbp:inchikey "InChIKey=ZNQVEEAIQZEUHB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_003 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2oxC2ol" ;
skos:prefLabel "2-ethoxyethanol"@nl .
csc:BQYJATMQXGBDHF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86173 ;
dbo:casNumber "119446-68-3" ;
dbo:formula "C19H17Cl2N3O3" ;
dbo:inchi "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3" ;
dbo:iupacName "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "86173"^^xsd:int ;
dbo:smiles "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl" ;
dbp:inchikey "InChIKey=BQYJATMQXGBDHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dfncnzl" ;
skos:prefLabel "difenoconazool"@nl .
csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4169 ;
dbo:casNumber "63150-68-5" , "55762-76-0" , "82535-90-8" , "94449-58-8" , "51218-45-2" ;
dbo:formula "C15H22ClNO2" ;
dbo:inchi "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3" ;
dbo:iupacName "2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide"@en ;
dbo:pubchem "4169"^^xsd:int ;
dbo:smiles "CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C" ;
dbp:inchikey "InChIKey=WVQBLGZPHOPPFO-UHFFFAOYSA-N" ;
skos:altLabel "metolachloor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_51218-45-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metlCl" ;
skos:prefLabel "metolachlor"@nl ;
vcs:vmmParameterId "1"^^xsd:int .
csc:CHEMONTID_0000067
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000067 ;
skos:definition "Compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:LCZUOKDVTBMCMX-UHFFFAOYSA-N , csc:KVFIJIWMDBAGDP-UHFFFAOYSA-N , csc:IAEGWXHKWJGQAZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000067" ;
skos:prefLabel "Pyrazines"@en .
csc:GSWAOPJLTADLTN-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'"@nl , "VLAR II bijl. 2.5.3. 'stikstofoxiden'"@nl , " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'"@nl , "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''"@nl , "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'"@nl , "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'"@nl , "VLAR II (D2) 'stikstofoxiden (NOx)'"@nl , "VLAR III (D3, diverse art) 'NOx'"@nl , "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'"@nl ;
rdfs:seeAlso compound:160954 ;
dbo:casNumber "11104-93-1" , "11129-69-4" ;
dbo:formula "H3NO" ;
dbo:inchi "InChI=1S/H3NO/c1-2/h1H3" ;
dbo:iupacName "oxidoazanium"@en ;
dbo:pubchem "160954"^^xsd:int ;
dbo:smiles "[NH3+][O-]" ;
dbp:inchikey "InChIKey=GSWAOPJLTADLTN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofoxiden (NOx), uitgedrukt als NO2"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:definition "stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofoxiden (nox), uitgedrukt als no2"@nl .
csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7206 ;
dbo:casNumber "94-80-4" ;
dbo:formula "C12H14Cl2O3" ;
dbo:inchi "InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3" ;
dbo:iupacName "butyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "7206"^^xsd:int ;
dbo:smiles "CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=UQMRAFJOBWOFNS-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D butyl ester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC4yEsr" ;
skos:prefLabel "2,4-d butyl ester"@nl .
csc:AUODDLQVRAJAJM-GQYOKNPUSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441204 ;
dbo:casNumber "21462-39-5" ;
dbo:formula "C18H34Cl2N2O5S" ;
dbo:inchi "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m1./s1" ;
dbo:iupacName "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride"@en ;
dbo:pubchem "441204"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl" ;
dbp:inchikey "InChIKey=AUODDLQVRAJAJM-GQYOKNPUSA-N" ;
skos:broader csc:CHEMONTID_0002205 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "clindamycine, waterstofchloride"@nl .
csc:GKOZUEZYRPOHIO-IGMARMGPSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66373 ;
dbo:casNumber "14694-69-0" ;
dbo:formula "Ir" ;
dbo:inchi "InChI=1S/Ir/i1+0" ;
dbo:iupacName "iridium-192"@en ;
dbo:pubchem "66373"^^xsd:int ;
dbo:smiles "[Ir]" ;
dbp:inchikey "InChIKey=GKOZUEZYRPOHIO-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ir192" ;
skos:prefLabel "iridium 192"@nl .
csc:PYZRQGJRPPTADH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3878 ;
dbo:casNumber "84057-84-1" ;
dbo:formula "C9H7Cl2N5" ;
dbo:inchi "InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)" ;
dbo:iupacName "6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine"@en ;
dbo:pubchem "3878"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N" ;
dbp:inchikey "InChIKey=PYZRQGJRPPTADH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lamtgne" ;
skos:prefLabel "lamotrigine"@nl .
csc:CHEMONTID_0004668
skos:narrower csc:HBPDKDSFLXWOAE-UHFFFAOYSA-N , csc:BBJPZPLAZVZTGR-UHFFFAOYSA-N .
csc:CHEMONTID_0002442
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002442 ;
skos:definition "Piperidines with a nitroso functional group attached to the piperidine ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UWSDONTXWQOZFN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002442" ;
skos:prefLabel "Nitrosopiperidines"@en .
csc:SYDNSSSQVSOXTN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8391 ;
dbo:casNumber "119-33-5" , "68137-08-6" , "12167-20-3" ;
dbo:formula "C7H7NO3" ;
dbo:inchi "InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3" ;
dbo:iupacName "4-Methyl-2-nitrophenol"@en ;
dbo:pubchem "8391"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SYDNSSSQVSOXTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2pcsl" ;
skos:prefLabel "2-nitro-p-cresol"@nl .
csc:HHEFNVCDPLQQTP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24639 ;
dbo:casNumber "28499-39-0" , "7790-98-9" , "222532-79-8" , "19166-97-3" , "87110-01-8" , "13777-04-3" , "53026-82-7" ;
dbo:formula "ClH4NO4" ;
dbo:inchi "InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3" ;
dbo:iupacName "azanium perchlorate"@en ;
dbo:pubchem "24639"^^xsd:int ;
dbo:smiles "[NH4+].[O-]Cl(=O)(=O)=O" ;
dbp:inchikey "InChIKey=HHEFNVCDPLQQTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001065 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4ClO4" ;
skos:prefLabel "ammoniumperchloraat"@nl .
csc:VYZAMTAEIAYCRO-BJUDXGSMSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104786 ;
dbo:casNumber "14392-02-0" ;
dbo:formula "Cr" ;
dbo:inchi "InChI=1S/Cr/i1-1" ;
dbo:iupacName "chromium-51"@en ;
dbo:pubchem "104786"^^xsd:int ;
dbo:smiles "[Cr]" ;
dbp:inchikey "InChIKey=VYZAMTAEIAYCRO-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cr51" ;
skos:prefLabel "chroom 51"@nl .
csc:QYIXCDOBOSTCEI-NWKZBHTNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:221122 ;
dbo:casNumber "360-68-9" ;
dbo:formula "C27H48O" ;
dbo:inchi "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "221122"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=QYIXCDOBOSTCEI-NWKZBHTNSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5acholet3bol" ;
skos:prefLabel "5-beta-cholestan-3-beta-ol"@nl .
csc:YWWVWXASSLXJHU-WAYWQWQTSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281119 ;
dbo:casNumber "544-64-9" ;
dbo:formula "C14H26O2" ;
dbo:inchi "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-" ;
dbo:iupacName "(Z)-Tetradec-9-enoic acid"@en ;
dbo:pubchem "5281119"^^xsd:int ;
dbo:smiles "CCCCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=YWWVWXASSLXJHU-WAYWQWQTSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "myrslinzr" ;
skos:prefLabel "myristoleinezuur"@nl .
csc:XQUXKZZNEFRCAW-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47326 ;
dbo:casNumber "39515-41-8" , "64257-84-7" ;
dbo:formula "C22H23NO3" ;
dbo:inchi "InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "47326"^^xsd:int ;
dbo:smiles "CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C" ;
dbp:inchikey "InChIKey=XQUXKZZNEFRCAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenpratn" ;
skos:prefLabel "fenpropathrin"@nl .
csc:CMWTZPSULFXXJA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1302 ;
dbo:casNumber "26159-31-9" , "22204-53-1" , "23981-80-8" ;
dbo:formula "C14H14O3" ;
dbo:inchi "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)" ;
dbo:iupacName "2-(6-methoxynaphthalen-2-yl)propanoic acid"@en ;
dbo:pubchem "1302"^^xsd:int ;
dbo:smiles "CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O" ;
dbp:inchikey "InChIKey=CMWTZPSULFXXJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_22204-53-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "napxn" ;
skos:prefLabel "naproxen"@nl ;
vcs:vmmParameterId "1406"^^xsd:int .
csc:HJWLCRVIBGQPNF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9309 ;
dbo:casNumber "128961-80-8" , "57807-91-7" , "300-57-2" ;
dbo:formula "C9H10" ;
dbo:inchi "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2" ;
dbo:iupacName "prop-2-enylbenzene"@en ;
dbo:pubchem "9309"^^xsd:int ;
dbo:smiles "C=CCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=HJWLCRVIBGQPNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3yeBen" ;
skos:prefLabel "2-propenylbenzeen"@nl .
csc:CXWXQJXEFPUFDZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8404 ;
dbo:casNumber "68412-24-8" , "119-64-2" ;
dbo:formula "C10H12" ;
dbo:inchi "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2" ;
dbo:iupacName "1,2,3,4-Tetrahydronaphthalene"@en ;
dbo:pubchem "8404"^^xsd:int ;
dbo:smiles "C1CCC2=CC=CC=C2C1" ;
dbp:inchikey "InChIKey=CXWXQJXEFPUFDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234T4HNaf" ;
skos:prefLabel "1,2,3,4-tetrahydronaftaleen"@nl .
csc:JYGXADMDTFJGBT-VWUMJDOOSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5754 ;
dbo:casNumber "8063-42-1" , "50-23-7" , "80562-38-5" , "8056-08-4" ;
dbo:formula "C21H30O5" ;
dbo:inchi "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5754"^^xsd:int ;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O" ;
dbp:inchikey "InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hcortsn" ;
skos:prefLabel "hydrocortison"@nl .
csc:PUDIUYLPXJFUGB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23942 ;
dbo:casNumber "110123-50-7" , "7440-10-0" , "24562-03-6" ;
dbo:formula "Pr" ;
dbo:inchi "InChI=1S/Pr" ;
dbo:iupacName "PRASEODYMIUM"@en ;
dbo:pubchem "23942"^^xsd:int ;
dbo:smiles "[Pr]" ;
dbp:inchikey "InChIKey=PUDIUYLPXJFUGB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pr" ;
skos:prefLabel "praseodymium"@nl .
csc:CHEMONTID_0001273
skos:narrower csc:TUAMRELNJMMDMT-UHFFFAOYSA-N , csc:SMFHPCZZAAMJJO-UHFFFAOYSA-N , csc:RLSSMJSEOOYNOY-UHFFFAOYSA-N , csc:OSDLLIBGSJNGJE-UHFFFAOYSA-N , csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N .
csc:AFTSHZRGGNMLHC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13132 ;
dbo:casNumber "812-04-4" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H" ;
dbo:iupacName "1,1-Dichloro-1,2,2-trifluoroethane"@en ;
dbo:pubchem "13132"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)F" ;
dbp:inchikey "InChIKey=AFTSHZRGGNMLHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123b" ;
skos:prefLabel "1,1-dichloor-1,2,2-trifluorethaan"@nl .
csc:AXISYYRBXTVTFY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8042 ;
dbo:casNumber "110-27-0" , "1405-98-7" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3" ;
dbo:iupacName "propan-2-yl tetradecanoate"@en ;
dbo:pubchem "8042"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC(=O)OC(C)C" ;
dbp:inchikey "InChIKey=AXISYYRBXTVTFY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3ymrtt" ;
skos:prefLabel "isopropylmyristaat"@nl .
csc:CHEMONTID_0004647
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004647 ;
skos:definition "Phenols that are unsubstituted at the 4-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:CYEJMVLDXAUOPN-UHFFFAOYSA-N , csc:IXQGCWUGDFDQMF-UHFFFAOYSA-N , csc:HMNKTRSOROOSPP-UHFFFAOYSA-N , csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N , csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N , csc:QIRNGVVZBINFMX-UHFFFAOYSA-N , csc:IXKVYSRDIVLASR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004647" ;
skos:prefLabel "1-hydroxy-4-unsubstituted benzenoids"@en .
csc:YXIWHUQXZSMYRE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8997 ;
dbo:casNumber "4464-58-8" , "119170-41-1" , "55199-93-4" , "112242-83-8" , "81605-65-4" , "12640-90-3" , "149-30-4" ;
dbo:formula "C7H5NS2" ;
dbo:inchi "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)" ;
dbo:iupacName "3H-1,3-benzothiazole-2-thione"@en ;
dbo:pubchem "8997"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)S" ;
dbp:inchikey "InChIKey=YXIWHUQXZSMYRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2benztazetol" ;
skos:prefLabel "2-benzothiazolethiol"@nl .
csc:SOUGWDPPRBKJEX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:122087 ;
dbo:casNumber "156052-68-5" , "160171-18-6" ;
dbo:formula "C14H16Cl3NO2" ;
dbo:inchi "InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)" ;
dbo:iupacName "3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide"@en ;
dbo:pubchem "122087"^^xsd:int ;
dbo:smiles "CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl" ;
dbp:inchikey "InChIKey=SOUGWDPPRBKJEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "zOaAd" ;
skos:prefLabel "zoxamide"@nl .
csc:CHEMONTID_0002421
skos:narrower csc:AQXXZDYPVDOQEE-MXDQRGINSA-N .
csc:YATDSXRLIUJOQN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:128901 ;
dbo:casNumber "67640-14-6" ;
dbo:formula "C15H11Cl2F5O2" ;
dbo:inchi "InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3" ;
dbo:iupacName "(2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "128901"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=YATDSXRLIUJOQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenftn" ;
skos:prefLabel "fenfluthrin"@nl .
csc:JGFYQVQAXANWJU-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6123 ;
dbo:casNumber "62-74-8" ;
dbo:formula "C2H2FNaO2" ;
dbo:inchi "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium 2-fluoroacetate"@en ;
dbo:pubchem "6123"^^xsd:int ;
dbo:smiles "C(C(=O)[O-])F.[Na+]" ;
dbp:inchikey "InChIKey=JGFYQVQAXANWJU-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaFactt" ;
skos:prefLabel "natriumfluoracetaat"@nl .
csc:CHEMONTID_0004164
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004164 ;
skos:definition "O-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OPASCBHCTNRLRM-UHFFFAOYSA-N , csc:UPUGLJYNCXXUQV-UHFFFAOYSA-N , csc:BKVJOVPVLOJPKJ-UHFFFAOYSA-N , csc:QTXHFDHVLBDJIO-UHFFFAOYSA-N , csc:KKOYBOFPUBHPFO-UHFFFAOYSA-N , csc:MCWXGJITAZMZEV-UHFFFAOYSA-N , csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N , csc:YVPSNUIHHFTTRL-UHFFFAOYSA-N , csc:XLNZEKHULJKQBA-UHFFFAOYSA-N , csc:BULVZWIRKLYCBC-UHFFFAOYSA-N , csc:DWZSTEUTHNUVQD-UHFFFAOYSA-N , csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N , csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N , csc:QGTYWWGEWOBMAK-UHFFFAOYSA-N , csc:XRQHTUDGPWMPKX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004164" ;
skos:prefLabel "Dithiophosphate O-esters"@en .
csc:CHEMONTID_0001820
skos:narrower csc:WLLGXSLBOPFWQV-UHFFFAOYSA-N , csc:LDVVMCZRFWMZSG-UHFFFAOYSA-N , csc:JHRWWRDRBPCWTF-UHFFFAOYSA-N , csc:CXBMCYHAMVGWJQ-CABCVRRESA-N , csc:CIFFBTOJCKSRJY-OLQVQODUSA-N .
csc:ZLCSFXXPPANWQY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12100 ;
dbo:casNumber "620-14-4" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3" ;
dbo:iupacName "1-Ethyl-3-methylbenzene"@en ;
dbo:pubchem "12100"^^xsd:int ;
dbo:smiles "CCC1=CC=CC(=C1)C" ;
dbp:inchikey "InChIKey=ZLCSFXXPPANWQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yTol" ;
skos:prefLabel "3-ethyltolueen"@nl .
csc:TZMHVHLTPWKZCI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40478 ;
dbo:casNumber "52663-71-5" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40478"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=TZMHVHLTPWKZCI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB171" ;
skos:prefLabel "2,2',3,3',4,4',6-heptachloorbifenyl"@nl .
csc:QQVHEQUEHCEAKS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19283 ;
dbo:casNumber "154766-25-3" , "85507-79-5" , "3648-20-2" ;
dbo:formula "C30H50O4" ;
dbo:inchi "InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3" ;
dbo:iupacName "diundecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "19283"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=QQVHEQUEHCEAKS-UHFFFAOYSA-N" ;
skos:altLabel "diundecylftalaat"@nl , "di-n-undecylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC11yFtvteln" , "DC11yFt" ;
skos:prefLabel "diundecylftalaat (vertakt en lineair)"@nl .
csc:RLFWWDJHLFCNIJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2151 ;
dbo:casNumber "83-07-8" ;
dbo:formula "C11H13N3O" ;
dbo:inchi "InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3" ;
dbo:iupacName "4-amino-1,5-dimethyl-2-phenylpyrazol-3-one"@en ;
dbo:pubchem "2151"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N" ;
dbp:inchikey "InChIKey=RLFWWDJHLFCNIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Aoatprne" ;
skos:prefLabel "4-aminoantipyrine"@nl .
csc:CHEMONTID_0002336
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002336 ;
skos:definition "Polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OQZCSNDVOWYALR-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002336" ;
skos:prefLabel "Phenylpyrrolidines"@en .
csc:CHEMONTID_0001109
skos:narrower csc:LGRFSURHDFAFJT-UHFFFAOYSA-N .
csc:CHEMONTID_0003080
skos:narrower csc:LVQDKIWDGQRHTE-UHFFFAOYSA-N .
csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23963 ;
dbo:casNumber "12718-64-8" , "53549-90-9" , "12794-00-2" , "37333-92-9" , "67796-94-5" , "14067-04-0" , "11147-83-4" , "195161-81-0" , "37269-05-9" , "62650-70-8" , "182260-48-6" , "57854-37-2" , "37261-68-0" , "37246-36-9" , "37301-57-8" , "37246-34-7" , "7440-32-6" , "54319-51-6" , "37246-37-0" ;
dbo:formula "Ti" ;
dbo:inchi "InChI=1S/Ti" ;
dbo:iupacName "TITANIUM"@en ;
dbo:pubchem "23963"^^xsd:int ;
dbo:smiles "[Ti]" ;
dbp:inchikey "InChIKey=RTAQQCXQSZGOHL-UHFFFAOYSA-N" ;
skos:altLabel "titaan"@nl , "titanium"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-32-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ti" ;
skos:prefLabel "titaan, opgelost"@nl ;
vcs:vmmParameterId "1975"^^xsd:int , "194"^^xsd:int , "195"^^xsd:int , "196"^^xsd:int .
csc:CHEMONTID_0004711
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004711 ;
skos:definition "Aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N , csc:RIOXQFHNBCKOKP-UHFFFAOYSA-N , csc:HDDSHPAODJUKPD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004711" ;
skos:prefLabel "2-benzimidazolylcarbamic acid esters"@en .
csc:DLFVBJFMPXGRIB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:178 ;
dbo:casNumber "60-35-5" ;
dbo:formula "C2H5NO" ;
dbo:inchi "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" ;
dbo:iupacName "ACETAMIDE"@en ;
dbo:pubchem "178"^^xsd:int ;
dbo:smiles "CC(=O)N" ;
dbp:inchikey "InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actAd" ;
skos:prefLabel "aceetamide"@nl .
csc:CJDWRQLODFKPEL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91734 ;
dbo:casNumber "99039-56-2" , "83121-18-0" ;
dbo:formula "C14H6Cl2F4N2O2" ;
dbo:inchi "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)" ;
dbo:iupacName "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91734"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F" ;
dbp:inchikey "InChIKey=CJDWRQLODFKPEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tefbzrn" ;
skos:prefLabel "teflubenzuron"@nl .
csc:CHEMONTID_0001252
skos:narrower csc:SEOVTRFCIGRIMH-UHFFFAOYSA-N .
csc:MKPDWECBUAZOHP-AFYJWTTESA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5875 ;
dbo:casNumber "53-33-8" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1" ;
dbo:iupacName "(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5875"^^xsd:int ;
dbo:smiles "CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F" ;
dbp:inchikey "InChIKey=MKPDWECBUAZOHP-AFYJWTTESA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "parmtsn" ;
skos:prefLabel "paramethason"@nl .
csc:CHEMONTID_0000025
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000025 ;
skos:definition "Polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:TUAHORSUHVUKBD-UHFFFAOYSA-N , csc:PPQNQXQZIWHJRB-UHFFFAOYSA-N , csc:LHRCREOYAASXPZ-UHFFFAOYSA-N , csc:DXBHBZVCASKNBY-UHFFFAOYSA-N , csc:CSHWQDPOILHKBI-UHFFFAOYSA-N , csc:IFCBMPOMNSORDG-UHFFFAOYSA-N , csc:UAIXRPCCYXNJMQ-CHLZSUIASA-N , csc:KLIHYVJAYWCEDM-UHFFFAOYSA-N , csc:HUKPVYBUJRAUAG-UHFFFAOYSA-N , csc:RKZDZWJDQTZDLD-UHFFFAOYSA-N , csc:YEIHPPOCKIHUQJ-UHFFFAOYSA-N , csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N , csc:YNPNZTXNASCQKK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000025" ;
skos:prefLabel "Phenanthrenes and derivatives"@en .
csc:VPOMSPZBQMDLTM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11571 ;
dbo:casNumber "591-35-5" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H" ;
dbo:iupacName "3,5-Dichlorophenol"@en ;
dbo:pubchem "11571"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)O" ;
dbp:inchikey "InChIKey=VPOMSPZBQMDLTM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DClFol" ;
skos:prefLabel "3,5-dichloorfenol"@nl .
csc:XCYJPXQACVEIOS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10812 ;
dbo:casNumber "535-77-3" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3" ;
dbo:iupacName "1-methyl-3-propan-2-ylbenzene"@en ;
dbo:pubchem "10812"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C(C)C" ;
dbp:inchikey "InChIKey=XCYJPXQACVEIOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1iC3y3C1yBen" ;
skos:prefLabel "1-isopropyl-3-methyl-benzeen (m-cymeen)"@nl .
csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15910 ;
dbo:casNumber "1897-45-6" , "101963-73-9" , "37223-69-1" ;
dbo:formula "C8Cl4N2" ;
dbo:inchi "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14" ;
dbo:iupacName "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile"@en ;
dbo:pubchem "15910"^^xsd:int ;
dbo:smiles "C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl" ;
dbp:inchikey "InChIKey=CRQQGFGUEAVUIL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001530 ;
skos:exactMatch wise:CAS_1897-45-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cltlnl" ;
skos:prefLabel "chloorthalonil"@nl ;
vcs:vmmParameterId "1474"^^xsd:int .
csc:CHEMONTID_0001167
skos:narrower csc:CXBDYQVECUFKRK-UHFFFAOYSA-N , csc:OOBSUSUFVSSVFU-GQCTYLIASA-N , csc:XJUZRXYOEPSWMB-UHFFFAOYSA-N , csc:QCFYJCYNJLBDRT-UHFFFAOYSA-N , csc:BZLVMXJERCGZMT-UHFFFAOYSA-N , csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N , csc:ICBJCVRQDSQPGI-UHFFFAOYSA-N , csc:SBASXUCJHJRPEV-UHFFFAOYSA-N , csc:OAYXUHPQHDHDDZ-UHFFFAOYSA-N , csc:HCGFUIQPSOCUHI-UHFFFAOYSA-N , csc:LHTCFGRXHNJRBP-UHFFFAOYSA-N , csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N , csc:YFNKIDBQEZZDLK-UHFFFAOYSA-N , csc:LEEANUDEDHYDTG-UHFFFAOYSA-N , csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N , csc:KFRVYYGHSPLXSZ-UHFFFAOYSA-N , csc:DURPTKYDGMDSBL-UHFFFAOYSA-N , csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N , csc:LZDKZFUFMNSQCJ-UHFFFAOYSA-N , csc:GPTVQTPMFOLLOA-UHFFFAOYSA-N , csc:SBZXBUIDTXKZTM-UHFFFAOYSA-N , csc:POAOYUHQDCAZBD-UHFFFAOYSA-N , csc:XNWFRZJHXBZDAG-UHFFFAOYSA-N , csc:ZNSMNVMLTJELDZ-UHFFFAOYSA-N , csc:YTTFFPATQICAQN-UHFFFAOYSA-N , csc:HVZJRWJGKQPSFL-UHFFFAOYSA-N , csc:NUNQKTCKURIZQX-UHFFFAOYSA-N , csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N , csc:ZUHZGEOKBKGPSW-UHFFFAOYSA-N , csc:NUMQCACRALPSHD-UHFFFAOYSA-N , csc:XTHFKEDIFFGKHM-UHFFFAOYSA-N , csc:VSCUCHUDCLERMY-UHFFFAOYSA-N , csc:DMDPGPKXQDIQQG-UHFFFAOYSA-N , csc:MTHSVFCYNBDYFN-UHFFFAOYSA-N .
csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl , "VLAR II Art 5.23.1.1."@nl ;
rdfs:seeAlso compound:702 ;
dbo:casNumber "64-17-5" , "121182-78-3" , "68475-56-9" , "71076-86-3" , "8000-16-6" , "71329-38-9" , "8024-45-1" ;
dbo:formula "C2H6O" ;
dbo:inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" ;
dbo:iupacName "ethanol"@en ;
dbo:pubchem "702"^^xsd:int ;
dbo:smiles "CCO" ;
dbp:inchikey "InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_009 ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2OH" ;
skos:prefLabel "ethanol"@nl .
csc:OPKOKAMJFNKNAS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8016 ;
dbo:casNumber "109-83-1" ;
dbo:formula "C3H9NO" ;
dbo:inchi "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3" ;
dbo:iupacName "2-Methylaminoethanol"@en ;
dbo:pubchem "8016"^^xsd:int ;
dbo:smiles "CNCCO" ;
dbp:inchikey "InChIKey=OPKOKAMJFNKNAS-UHFFFAOYSA-N" ;
skos:altLabel "N-methylethanolamine"@nl ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NMEA" ;
skos:prefLabel "n-methylethanolamine"@nl .
csc:OGPBJKLSAFTDLK-AKLPVKDBSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105088 ;
dbo:casNumber "14391-16-3" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+3" ;
dbo:iupacName "europium-155"@en ;
dbo:pubchem "105088"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu155" ;
skos:prefLabel "europium 155"@nl .
csc:VDLGAVXLJYLFDH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:213031 ;
dbo:casNumber "126833-17-8" ;
dbo:formula "C14H17Cl2NO2" ;
dbo:inchi "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)" ;
dbo:iupacName "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide"@en ;
dbo:pubchem "213031"^^xsd:int ;
dbo:smiles "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl" ;
dbp:inchikey "InChIKey=VDLGAVXLJYLFDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenhxAd" ;
skos:prefLabel "fenhexamide"@nl .
csc:QGZKDVFQNNGYKY-UHFFFAOYSA-O
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:223 ;
dbo:casNumber "14158-23-7" , "6684-80-6" , "14798-03-9" ;
dbo:formula "H4N+" ;
dbo:inchi "InChI=1S/H3N/h1H3/p+1" ;
dbo:iupacName "['azanium', 'nitrogen(+1) dihydride cation']"@en ;
dbo:pubchem "223"^^xsd:int ;
dbo:smiles "[NH4+]" ;
dbp:inchikey "InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-O" ;
dct:isReferencedBy co:WAC_III_E_022 , co:CMA_2_I_E.2 , co:WAC_III_E_021 , co:CMA_2_I_E.1 , co:WAC_IV_A_003 , co:LUC_VII_001 , co:CMA_2_I_E.4 , co:WAC_III_E_023 , co:CMA_2_II_A.16 , co:WAC_III_D_030 , co:CMA_2_I_E , co:WAC_V_B_003 , co:CMA_2_I_C.8 , co:WAC_III_E_020 , co:LUC_III_003 ;
skos:exactMatch wise:CAS_14798-03-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4" ;
skos:prefLabel "ammonium"@nl ;
vcs:vmmParameterId "122"^^xsd:int , "2113"^^xsd:int , "121"^^xsd:int .
csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15530 ;
dbo:casNumber "1689-83-4" ;
dbo:formula "C7H3I2NO" ;
dbo:inchi "InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "4-Hydroxy-3,5-diiodobenzonitrile"@en ;
dbo:pubchem "15530"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1I)O)I)C#N" ;
dbp:inchikey "InChIKey=NRXQIUSYPAHGNM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001530 ;
skos:exactMatch wise:CAS_1689-83-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iOxnl" ;
skos:prefLabel "ioxynil"@nl ;
vcs:vmmParameterId "489"^^xsd:int .
csc:JDWJZEXJARCHAT-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335496 ;
dbo:casNumber "2406-68-0" ;
dbo:formula "C6H7Sn" ;
dbo:inchi "InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;" ;
dbo:iupacName "1-cyclohexa-2,4-dienyltin"@en ;
dbo:pubchem "6335496"^^xsd:int ;
dbo:smiles "C1C=CC=CC1[Sn]" ;
dbp:inchikey "InChIKey=JDWJZEXJARCHAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004441 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monofenyltin"@nl .
csc:NTBYINQTYWZXLH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7443 ;
dbo:casNumber "99-54-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H" ;
dbo:iupacName "1,2-Dichloro-4-nitrobenzene"@en ;
dbo:pubchem "7443"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl" ;
dbp:inchikey "InChIKey=NTBYINQTYWZXLH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_99-54-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClNO2Ben" ;
skos:prefLabel "3,4-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "777"^^xsd:int .
csc:XTFIVUDBNACUBN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8490 ;
dbo:casNumber "82030-42-0" , "53800-53-6" , "57608-45-4" , "121-82-4" , "50579-23-2" , "204655-61-8" ;
dbo:formula "C3H6N6O6" ;
dbo:inchi "InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2" ;
dbo:iupacName "1,3,5-trinitro-1,3,5-triazinane"@en ;
dbo:pubchem "8490"^^xsd:int ;
dbo:smiles "C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XTFIVUDBNACUBN-UHFFFAOYSA-N" ;
skos:altLabel "hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)"@nl ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "RDX" ;
skos:prefLabel "hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)"@nl .
csc:SJWFXCIHNDVPSH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20083 ;
dbo:casNumber "4128-31-8" , "113244-40-9" , "113301-48-7" , "6169-06-8" , "123-96-6" , "25339-16-6" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "octan-2-ol"@en ;
dbo:pubchem "20083"^^xsd:int ;
dbo:smiles "CCCCCCC(C)O" ;
dbp:inchikey "InChIKey=SJWFXCIHNDVPSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C8ol" ;
skos:prefLabel "2-octanol"@nl .
csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2707 ;
dbo:casNumber "302-17-0" , "109128-19-0" ;
dbo:formula "C2H3Cl3O2" ;
dbo:inchi "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H" ;
dbo:iupacName "2,2,2-Trichloroethane-1,1-diol"@en ;
dbo:pubchem "2707"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(O)O" ;
dbp:inchikey "InChIKey=RNFNDJAIBTYOQL-UHFFFAOYSA-N" ;
skos:altLabel "trichlooracetal-dehyde-hydraat"@nl , "trichlooracetaldehyde-hydraat"@nl ;
skos:broader csc:CHEMONTID_0002608 ;
skos:exactMatch wise:CAS_302-17-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clahdt" ;
skos:prefLabel "chloralhydraat"@nl ;
vcs:vmmParameterId "521"^^xsd:int .
csc:RKELNIPLHQEBJO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:591200 ;
dbo:casNumber "71888-89-6" , "151852-28-7" , "41451-28-9" ;
dbo:formula "C22H34O4" ;
dbo:inchi "InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3" ;
dbo:iupacName "bis(5-methylhexyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "591200"^^xsd:int ;
dbo:smiles "CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C" ;
dbp:inchikey "InChIKey=RKELNIPLHQEBJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isoheptylftalaat (mix van isomeren)"@nl .
csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8489 ;
dbo:casNumber "121-73-3" ;
dbo:formula "C6H4ClNO2" ;
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H" ;
dbo:iupacName "1-Chloro-3-nitrobenzene"@en ;
dbo:pubchem "8489"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=KMAQZIILEGKYQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_121-73-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl3NO2Ben" ;
skos:prefLabel "1-chloor-3-nitrobenzeen"@nl ;
vcs:vmmParameterId "332"^^xsd:int .
csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12560 ;
dbo:casNumber "82343-12-2" , "114-07-8" ;
dbo:formula "C37H67NO13" ;
dbo:inchi "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1" ;
dbo:iupacName "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"@en ;
dbo:pubchem "12560"^^xsd:int ;
dbo:smiles "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O" ;
dbp:inchikey "InChIKey=ULGZDMOVFRHVEP-RWJQBGPGSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:exactMatch wise:CAS_114-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ertmcne" ;
skos:prefLabel "erytromycine"@nl ;
vcs:vmmParameterId "1411"^^xsd:int .
csc:DTGKSKDOIYIVQL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:64685 ;
dbo:casNumber "10385-78-1" , "507-70-0" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3" ;
dbo:iupacName "1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol"@en ;
dbo:pubchem "64685"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(C2)O)C)C" ;
dbp:inchikey "InChIKey=DTGKSKDOIYIVQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bornol" ;
skos:prefLabel "borneol"@nl .
csc:BHAAPTBBJKJZER-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7732 ;
dbo:casNumber "104-94-9" ;
dbo:formula "C7H9NO" ;
dbo:inchi "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3" ;
dbo:iupacName "4-Methoxyaniline"@en ;
dbo:pubchem "7732"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=BHAAPTBBJKJZER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pansdne" ;
skos:prefLabel "p-anisidine"@nl .
csc:IMSSROKUHAOUJS-MJCUULBUSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6291 ;
dbo:casNumber "43085-54-7" , "72-33-3" , "53445-46-8" ;
dbo:formula "C21H26O2" ;
dbo:inchi "InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "6291"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC" ;
dbp:inchikey "InChIKey=IMSSROKUHAOUJS-MJCUULBUSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mesnl" ;
skos:prefLabel "mestranol"@nl .
csc:LCGTWRLJTMHIQZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9212 ;
dbo:casNumber "256-96-2" ;
dbo:formula "C14H11N" ;
dbo:inchi "InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H" ;
dbo:iupacName "11H-benzo[b][1]benzazepine"@en ;
dbo:pubchem "9212"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2" ;
dbp:inchikey "InChIKey=LCGTWRLJTMHIQZ-UHFFFAOYSA-N" ;
skos:altLabel "5H-dibenz[b,f]azepine"@nl ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5HDbenzbfazp" ;
skos:prefLabel "5h-dibenz[b,f]azepine"@nl .
csc:DJHGAFSJWGLOIV-UHFFFAOYSA-K
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27401 ;
dbo:casNumber "25537-06-8" , "15584-04-0" , "11126-32-2" ;
dbo:formula "AsO4-3" ;
dbo:inchi "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3" ;
dbo:iupacName "arsorate"@en ;
dbo:pubchem "27401"^^xsd:int ;
dbo:smiles "[O-][As](=O)([O-])[O-]" ;
dbp:inchikey "InChIKey=DJHGAFSJWGLOIV-UHFFFAOYSA-K" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsO4" ;
skos:prefLabel "arsenaat"@nl .
csc:CHEMONTID_0000004
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000004 ;
skos:definition "Organic compounds containing a carbon-sulfur bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N , csc:JJWKPURADFRFRB-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000004" ;
skos:prefLabel "Organosulfur compounds"@en .
csc:LPXPTNMVRIOKMN-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24269 ;
dbo:casNumber "7632-00-0" , "32863-15-3" , "82998-40-1" , "82497-43-6" , "56227-20-4" ;
dbo:formula "NNaO2" ;
dbo:inchi "InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1" ;
dbo:iupacName "SODIUM NITRITE"@en ;
dbo:pubchem "24269"^^xsd:int ;
dbo:smiles "N(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=LPXPTNMVRIOKMN-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNaO2" ;
skos:prefLabel "natriumnitriet"@nl .
csc:RHLVCLIPMVJYKS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:246728 ;
dbo:casNumber "106-68-3" ;
dbo:formula "C8H16O" ;
dbo:inchi "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3" ;
dbo:iupacName "Octan-3-one"@en ;
dbo:pubchem "246728"^^xsd:int ;
dbo:smiles "CCCCCC(=O)CC" ;
dbp:inchikey "InChIKey=RHLVCLIPMVJYKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yamktn" ;
skos:prefLabel "ethylamylketon"@nl .
csc:VYZCFAPUHSSYCC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6936 ;
dbo:casNumber "88-53-9" ;
dbo:formula "C7H8ClNO3S" ;
dbo:inchi "InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)" ;
dbo:iupacName "2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID"@en ;
dbo:pubchem "6936"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N" ;
dbp:inchikey "InChIKey=VYZCFAPUHSSYCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003278 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao5Cl4C1yBe" ;
skos:prefLabel "2-amino-5-chloor-4-methylbenzeensulfonzuur"@nl .
csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16183 ;
dbo:casNumber "70852-53-8" , "2008-58-4" ;
dbo:formula "C7H5Cl2NO" ;
dbo:inchi "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzamide"@en ;
dbo:pubchem "16183"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" ;
dbp:inchikey "InChIKey=JHSPCUHPSIUQRB-UHFFFAOYSA-N" ;
skos:altLabel "2,6-dichlorobenzamide (bam)"@nl ;
skos:broader csc:CHEMONTID_0003098 ;
skos:exactMatch wise:CAS_2008-58-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClBenAd" ;
skos:prefLabel "2,6-dichloorbenzamide"@nl ;
vcs:vmmParameterId "1014"^^xsd:int .
csc:MUMQYXACQUZOFP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25146 ;
dbo:casNumber "10311-84-9" ;
dbo:formula "C14H17ClNO4PS2" ;
dbo:inchi "InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3" ;
dbo:iupacName "2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "25146"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "InChIKey=MUMQYXACQUZOFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dalfs" ;
skos:prefLabel "dialifos"@nl .
csc:STUSTWKEFDQFFZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22544 ;
dbo:casNumber "6164-98-3" ;
dbo:formula "C10H13ClN2" ;
dbo:inchi "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N'-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide"@en ;
dbo:pubchem "22544"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)N=CN(C)C" ;
dbp:inchikey "InChIKey=STUSTWKEFDQFFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClDmfm" ;
skos:prefLabel "chloordimeform"@nl .
csc:KJRCEJOSASVSRA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6364 ;
dbo:casNumber "75-33-2" ;
dbo:formula "C3H8S" ;
dbo:inchi "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3" ;
dbo:iupacName "Propane-2-thiol"@en ;
dbo:pubchem "6364"^^xsd:int ;
dbo:smiles "CC(C)S" ;
dbp:inchikey "InChIKey=KJRCEJOSASVSRA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3atol" ;
skos:prefLabel "2-propaanthiol"@nl .
csc:XKVUYEYANWFIJX-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15073 ;
dbo:casNumber "1453-58-3" , "88054-14-2" ;
dbo:formula "C4H6N2" ;
dbo:inchi "InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)" ;
dbo:iupacName "3-methyl-2H-pyrazole"@en ;
dbo:pubchem "15073"^^xsd:int ;
dbo:smiles "CC1=CC=NN1" ;
dbp:inchikey "InChIKey=XKVUYEYANWFIJX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000087 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yprzl" ;
skos:prefLabel "3-methylpyrazol"@nl .
csc:QCDQDISRALTLNQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:78441 ;
dbo:casNumber "4710-17-2" ;
dbo:formula "C8H12N2O2S" ;
dbo:inchi "InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3" ;
dbo:iupacName "(dimethylsulfamoylamino)benzene"@en ;
dbo:pubchem "78441"^^xsd:int ;
dbo:smiles "CN(C)S(=O)(=O)NC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=QCDQDISRALTLNQ-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethyl-n'-fenylsulfamide"@nl ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1yNFysAd" ;
skos:prefLabel "N,N-dimethyl-N'-fenylsulfamide"@nl .
csc:HGLDOAKPQXAFKI-IGMARMGPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167416 ;
dbo:casNumber "15765-19-2" ;
dbo:formula "Cf" ;
dbo:inchi "InChI=1S/Cf/i1+0" ;
dbo:iupacName "californium-251"@en ;
dbo:pubchem "167416"^^xsd:int ;
dbo:smiles "[Cf]" ;
dbp:inchikey "InChIKey=HGLDOAKPQXAFKI-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cf251" ;
skos:prefLabel "californium 251"@nl .
csc:SDUQYLNIPVEERB-QPPQHZFASA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60750 ;
dbo:casNumber "95058-81-4" ;
dbo:formula "C9H11F2N3O4" ;
dbo:inchi "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1" ;
dbo:iupacName "4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one"@en ;
dbo:pubchem "60750"^^xsd:int ;
dbo:smiles "C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F" ;
dbp:inchikey "InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N" ;
skos:broader csc:CHEMONTID_0002180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gemctbne" ;
skos:prefLabel "gemcitabine"@nl .
csc:JEWUXLHWYRSHJK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62315 ;
dbo:casNumber "128903-21-9" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H" ;
dbo:iupacName "2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62315"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(Cl)Cl)(F)F" ;
dbp:inchikey "InChIKey=JEWUXLHWYRSHJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225aa" ;
skos:prefLabel "2,2-dichloor-1,1,1,3,3-pentafluorpropaan"@nl .
csc:GTCAXTIRRLKXRU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11722 ;
dbo:casNumber "598-55-0" ;
dbo:formula "C2H5NO2" ;
dbo:inchi "InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)" ;
dbo:iupacName "Methyl carbamate"@en ;
dbo:pubchem "11722"^^xsd:int ;
dbo:smiles "COC(=O)N" ;
dbp:inchikey "InChIKey=GTCAXTIRRLKXRU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004787 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ycbmt" ;
skos:prefLabel "methylcarbamaat"@nl .
csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II (D2) 'benzo(a)pyreen'"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR II bijl. 2.5.8.1.'B(a)P'"@nl , "VLAR III (D3, diverse art)"@nl ;
rdfs:seeAlso compound:2336 ;
dbo:casNumber "42299-33-2" , "50-32-8" , "819804-28-9" , "6699-27-0" , "34505-58-3" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H" ;
dbo:iupacName "Benzo[a]pyrene"@en ;
dbo:pubchem "2336"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3" ;
dbp:inchikey "InChIKey=FMMWHPNWAFZXNH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(a)pyreen"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_50-32-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BaP" ;
skos:prefLabel "benzo(a)pyreen (b)"@nl ;
vcs:vmmParameterId "421"^^xsd:int , "1423"^^xsd:int .
csc:KWGUFOITWDSNQY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20965 ;
dbo:casNumber "4824-78-6" ;
dbo:formula "C10H12BrCl2O3PS" ;
dbo:inchi "InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "20965"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl" ;
dbp:inchikey "InChIKey=KWGUFOITWDSNQY-UHFFFAOYSA-N" ;
skos:altLabel "bromofos-ethyl"@nl , "bromophos-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yBrfs" ;
skos:prefLabel "ethylbromofos"@nl .
csc:KJTLSVCANCCWHF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23950 ;
dbo:casNumber "57572-01-7" , "100041-48-3" , "7440-18-8" ;
dbo:formula "Ru" ;
dbo:inchi "InChI=1S/Ru" ;
dbo:iupacName "RUTHENIUM"@en ;
dbo:pubchem "23950"^^xsd:int ;
dbo:smiles "[Ru]" ;
dbp:inchikey "InChIKey=KJTLSVCANCCWHF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ru" ;
skos:prefLabel "ruthenium"@nl .
csc:CXRFDZFCGOPDTD-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14250 ;
dbo:casNumber "8044-71-1" , "114568-24-0" , "1119-97-7" , "10182-92-0" ;
dbo:formula "C17H38BrN" ;
dbo:inchi "InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-tetradecylazanium bromide"@en ;
dbo:pubchem "14250"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "InChIKey=CXRFDZFCGOPDTD-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C14yTC1yNH4B" ;
skos:prefLabel "tetradecyltrimethylammonium bromide"@nl .
csc:QCCDLTOVEPVEJK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7678 ;
dbo:casNumber "103-79-7" , "136675-26-8" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3" ;
dbo:iupacName "1-phenylpropan-2-one"@en ;
dbo:pubchem "7678"^^xsd:int ;
dbo:smiles "CC(=O)CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=QCCDLTOVEPVEJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fyactn" ;
skos:prefLabel "fenylaceton"@nl .
csc:PLHJDBGFXBMTGZ-WEVVVXLNSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5323714 ;
dbo:casNumber "8027-73-4" , "8023-25-4" , "67-45-8" ;
dbo:formula "C8H7N3O5" ;
dbo:inchi "InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+" ;
dbo:iupacName "3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one"@en ;
dbo:pubchem "5323714"^^xsd:int ;
dbo:smiles "C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=PLHJDBGFXBMTGZ-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000194 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furzldn" ;
skos:prefLabel "furazolidon"@nl .
csc:NUIURNJTPRWVAP-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8413 ;
dbo:casNumber "119-93-7" ;
dbo:formula "C14H16N2" ;
dbo:inchi "InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3" ;
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline"@en ;
dbo:pubchem "8413"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N" ;
dbp:inchikey "InChIKey=NUIURNJTPRWVAP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1ybzdne" ;
skos:prefLabel "3,3'-dimethylbenzidine"@nl .
csc:CHEMONTID_0000041
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000041 ;
skos:definition "Organic compounds containing to benzene rings linked together by a C-C bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RMMXLENWKUUMAY-UHFFFAOYSA-N , csc:GVEDOIATHPCYGS-UHFFFAOYSA-N , csc:VGPIBGGRCVEHQZ-UHFFFAOYSA-N , csc:UXTIAFYTYOEQHV-UHFFFAOYSA-N , csc:ZHTROMYSDSTCCE-UHFFFAOYSA-N , csc:NDXGRHCEHPFUSU-UHFFFAOYSA-N , csc:PSIFNNKUMBGKDQ-UHFFFAOYSA-N , csc:LLEMOWNGBBNAJR-UHFFFAOYSA-N , csc:VHLKTXFWDRXILV-UHFFFAOYSA-N , csc:HTQMVQVXFRQIKW-UHFFFAOYSA-N , csc:DMVOXQPQNTYEKQ-UHFFFAOYSA-N , csc:OMFRMAHOUUJSGP-UNOMPAQXSA-N , csc:HOLGXWDGCVTMTB-UHFFFAOYSA-N , csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N , csc:YOSHYTLCDANDAN-UHFFFAOYSA-N , csc:BAJQRLZAPXASRD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000041" ;
skos:prefLabel "Biphenyls and derivatives"@en .
csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:943 ;
dbo:casNumber "14797-55-8" , "84145-82-4" ;
dbo:formula "NO3-" ;
dbo:inchi "InChI=1S/NO3/c2-1(3)4/q-1" ;
dbo:iupacName "['NITRATE', 'azonic acid']"@en ;
dbo:pubchem "943"^^xsd:int ;
dbo:smiles "[N+](=O)([O-])[O-]" ;
dbp:inchikey "InChIKey=NHNBFGGVMKEFGY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_002 , co:CMA_2_IV_4 , co:WAC_III_D_032 ;
skos:broader csc:CHEMONTID_0001062 ;
skos:exactMatch wise:CAS_14797-55-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO3" ;
skos:prefLabel "nitraat"@nl ;
vcs:vmmParameterId "6"^^xsd:int , "8"^^xsd:int .
csc:MUDSDYNRBDKLGK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10285 ;
dbo:casNumber "491-35-0" ;
dbo:formula "C10H9N" ;
dbo:inchi "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3" ;
dbo:iupacName "4-Methylquinoline"@en ;
dbo:pubchem "10285"^^xsd:int ;
dbo:smiles "CC1=CC=NC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=MUDSDYNRBDKLGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yqnlne" ;
skos:prefLabel "4-methylquinoline"@nl .
csc:VNFPBHJOKIVQEB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2812 ;
dbo:casNumber "117829-71-7" , "23593-75-1" ;
dbo:formula "C22H17ClN2" ;
dbo:inchi "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H" ;
dbo:iupacName "1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole"@en ;
dbo:pubchem "2812"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4" ;
dbp:inchikey "InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clotmzl" ;
skos:prefLabel "clotrimazol"@nl .
csc:TVMXDCGIABBOFY-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:356 ;
dbo:casNumber "111-65-9" , "50985-84-7" , "31372-91-5" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" ;
dbo:iupacName "octane"@en ;
dbo:pubchem "356"^^xsd:int ;
dbo:smiles "CCCCCCCC" ;
dbp:inchikey "InChIKey=TVMXDCGIABBOFY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_016 , co:LUC_IV_011 , co:LUC_IV_006 , co:LUC_IV_000 ;
skos:altLabel "n-octaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8a" ;
skos:prefLabel "octaan"@nl .
csc:RLLPVAHGXHCWKJ-MJGOQNOKSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43859 ;
dbo:casNumber "61949-77-7" ;
dbo:formula "C21H20Cl2O3" ;
dbo:inchi "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1" ;
dbo:iupacName "[3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "43859"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=RLLPVAHGXHCWKJ-MJGOQNOKSA-N" ;
skos:altLabel "trans-permethrin"@nl ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tpermtn" ;
skos:prefLabel "trans-permetryn"@nl .
csc:BEMXOWRVWRNPPL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77323 ;
dbo:casNumber "3735-33-9" ;
dbo:formula "C11H12NO5PS" ;
dbo:inchi "InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" ;
dbo:iupacName "2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "77323"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "InChIKey=BEMXOWRVWRNPPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosmOon" ;
skos:prefLabel "fosmet-oxon"@nl .
csc:MGLWZSOBALDPEK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13905 ;
dbo:casNumber "1014-70-6" ;
dbo:formula "C8H15N5S" ;
dbo:inchi "InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13905"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NCC" ;
dbp:inchikey "InChIKey=MGLWZSOBALDPEK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simtn" ;
skos:prefLabel "simetryn"@nl .
csc:JXTHEWSKYLZVJC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8594 ;
dbo:casNumber "132-66-1" ;
dbo:formula "C18H13NO3" ;
dbo:inchi "InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)" ;
dbo:iupacName "2-(naphthalen-1-ylcarbamoyl)benzoic acid"@en ;
dbo:pubchem "8594"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O" ;
dbp:inchikey "InChIKey=JXTHEWSKYLZVJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "naptlm" ;
skos:prefLabel "naptalam"@nl .
csc:GUUHFMWKWLOQMM-NTCAYCPXSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1550884 ;
dbo:casNumber "101-86-0" ;
dbo:formula "C15H20O" ;
dbo:inchi "InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+" ;
dbo:iupacName "['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal']"@en ;
dbo:pubchem "1550884"^^xsd:int ;
dbo:smiles "CCCCCCC(=CC1=CC=CC=C1)C=O" ;
dbp:inchikey "InChIKey=GUUHFMWKWLOQMM-NTCAYCPXSA-N" ;
skos:broader csc:CHEMONTID_0000029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aC6ycinnAh" ;
skos:prefLabel "alfa-hexylcinnamaldehyde"@nl .
csc:CHEMONTID_0001183
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001183 ;
skos:definition "Organic compounds containing the sulfuric acid diamide functional group, with the generic structure R1N(R2)S(=O)(=O)ON(R3)R4 (R1-R4 = H or organyl."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001183" ;
skos:prefLabel "Sulfuric acid diamides"@en .
csc:RRRXPPIDPYTNJG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:69785 ;
dbo:casNumber "754-91-6" ;
dbo:formula "C8H2F17NO2S" ;
dbo:inchi "InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide"@en ;
dbo:pubchem "69785"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=RRRXPPIDPYTNJG-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaansulfonamide (pfosa)"@nl , "perfluor-n-octaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOSA" ;
skos:prefLabel "perfluoroctaansulfonamide"@nl .
csc:KGSQRFPDZCBVBS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:123478 ;
dbo:casNumber "38939-88-7" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3" ;
dbo:iupacName "2-chloro-4-methyl-1-nitrobenzene"@en ;
dbo:pubchem "123478"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=KGSQRFPDZCBVBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4NO2Tol" ;
skos:prefLabel "3-chloor-4-nitrotolueen"@nl .
csc:VOXZDWNPVJITMN-SFFUCWETSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:68570 ;
dbo:casNumber "57-91-0" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "68570"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=VOXZDWNPVJITMN-SFFUCWETSA-N" ;
skos:altLabel "17-alfa-estradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17aestDol" ;
skos:prefLabel "17alpha-estradiol"@nl .
csc:ZJMLMBICUVVJDX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14993 ;
dbo:casNumber "1420-06-0" ;
dbo:formula "C23H23NO" ;
dbo:inchi "InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2" ;
dbo:iupacName "4-[tri(phenyl)methyl]morpholine"@en ;
dbo:pubchem "14993"^^xsd:int ;
dbo:smiles "C1COCCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4" ;
dbp:inchikey "InChIKey=ZJMLMBICUVVJDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004524 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfmf" ;
skos:prefLabel "trifenmorf"@nl .
csc:HWSSEYVMGDIFMH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7979 ;
dbo:casNumber "77302-65-9" , "116117-65-8" , "76611-53-5" , "121484-13-7" , "143083-95-8" , "212247-03-5" , "121150-61-6" , "72145-92-7" , "52325-89-0" , "64641-52-7" , "202134-79-0" , "102770-39-8" , "113723-03-8" , "107869-00-1" , "120415-48-7" , "184845-37-2" , "37291-80-8" , "109-16-0" ;
dbo:formula "C14H22O6" ;
dbo:inchi "InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3" ;
dbo:iupacName "2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7979"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C" ;
dbp:inchikey "InChIKey=HWSSEYVMGDIFMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yegclDmtc" ;
skos:prefLabel "triethyleenglycol dimethacrylaat"@nl .
csc:CHEMONTID_0001098
skos:narrower csc:QARVLSVVCXYDNA-UHFFFAOYSA-N , csc:OZHJEQVYCBTHJT-UHFFFAOYSA-N , csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N , csc:CAYGQBVSOZLICD-UHFFFAOYSA-N .
csc:LTCDLGUFORGHGY-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:92294 ;
dbo:casNumber "34084-50-9" ;
dbo:formula "C16H14FN3O" ;
dbo:inchi "InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3" ;
dbo:iupacName "7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "92294"^^xsd:int ;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F" ;
dbp:inchikey "InChIKey=LTCDLGUFORGHGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7Aofntzpm" ;
skos:prefLabel "7-aminoflunitrazepam"@nl .
csc:CHEMONTID_0003956
skos:narrower csc:PMZNABNRKYMIKT-UHFFFAOYSA-N , csc:NUIURNJTPRWVAP-UHFFFAOYSA-N , csc:JRBJSXQPQWSCCF-UHFFFAOYSA-N , csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N , csc:BXAONUZFBUNTQR-UHFFFAOYSA-N , csc:AMCOFRYQNUYHDX-UHFFFAOYSA-N .
csc:CHEMONTID_0000503
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000503 ;
skos:definition "Compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000503" ;
skos:prefLabel "Quaternary ammonium salts"@en .
csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31285 ;
dbo:casNumber "68855-57-2" , "124-11-8" , "68526-55-6" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" ;
dbo:iupacName "non-1-ene"@en ;
dbo:pubchem "31285"^^xsd:int ;
dbo:smiles "CCCCCCCC=C" ;
dbp:inchikey "InChIKey=JRZJOMJEPLMPRA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C9e" ;
skos:prefLabel "1-noneen"@nl .
csc:HZRSNVGNWUDEFX-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6422843 ;
dbo:casNumber "175013-18-0" ;
dbo:formula "C19H18ClN3O4" ;
dbo:inchi "InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3" ;
dbo:iupacName "methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate"@en ;
dbo:pubchem "6422843"^^xsd:int ;
dbo:smiles "COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC" ;
dbp:inchikey "InChIKey=HZRSNVGNWUDEFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrcsbn" ;
skos:prefLabel "pyraclostrobin"@nl .
csc:KLDXJTOLSGUMSJ-JGWLITMVSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12597 ;
dbo:casNumber "152881-21-5" , "151380-60-8" , "652-67-5" , "50974-60-2" , "42750-75-4" , "49871-92-3" ;
dbo:formula "C6H10O4" ;
dbo:inchi "InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1" ;
dbo:iupacName "(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol"@en ;
dbo:pubchem "12597"^^xsd:int ;
dbo:smiles "C1C(C2C(O1)C(CO2)O)O" ;
dbp:inchikey "InChIKey=KLDXJTOLSGUMSJ-JGWLITMVSA-N" ;
skos:broader csc:CHEMONTID_0001987 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "issbde" ;
skos:prefLabel "isosorbide"@nl .
csc:JNTHRSHGARDABO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9119 ;
dbo:casNumber "191-30-0" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene"@en ;
dbo:pubchem "9119"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4" ;
dbp:inchikey "InChIKey=JNTHRSHGARDABO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_191-30-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBaiP" ;
skos:prefLabel "dibenzo(a,i)pyreen"@nl ;
vcs:vmmParameterId "1349"^^xsd:int .
csc:YIEDHPBKGZGLIK-UHFFFAOYSA-L
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41478 ;
dbo:casNumber "65257-04-7" , "58591-11-0" , "55566-30-8" ;
dbo:formula "C8H24O12P2S" ;
dbo:inchi "InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2" ;
dbo:iupacName "tetrakis(hydroxymethyl)phosphanium sulfate"@en ;
dbo:pubchem "41478"^^xsd:int ;
dbo:smiles "C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]" ;
dbp:inchikey "InChIKey=YIEDHPBKGZGLIK-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4kHOC1yPSO4" ;
skos:prefLabel "tetrakis(hydroxymethyl)fosfoniumsulfaat"@nl .
csc:RIQIBKLXYRWFEJ-BRBBMYSQSA-J
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9570455 ;
dbo:casNumber "27569-07-9" , "10401-50-0" , "72882-28-1" , "23909-66-2" , "28407-37-6" , "190258-21-0" ;
dbo:formula "C32H20Cu2N6Na4O16S4" ;
dbo:inchi "InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,35-36,39-40H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;;;4*+1/p-4/b37-29-,38-30-;;;;;;" ;
dbo:iupacName "tetrasodium; (3E)-5-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-hydroxyphenyl]-2-hydroxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate; copper"@en ;
dbo:pubchem "9570455"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])O)O)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu]" ;
dbp:inchikey "InChIKey=RIQIBKLXYRWFEJ-BRBBMYSQSA-J" ;
skos:altLabel "c.i. direct blue 218"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cidbe218" ;
skos:prefLabel "C.I. Direct Blue 218"@nl .
csc:MOQGCGNUWBPGTQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9895 ;
dbo:casNumber "52844-21-0" , "432-25-7" ;
dbo:formula "C10H16O" ;
dbo:inchi "InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3" ;
dbo:iupacName "2,6,6-Trimethylcyclohexene-1-carbaldehyde"@en ;
dbo:pubchem "9895"^^xsd:int ;
dbo:smiles "CC1=C(C(CCC1)(C)C)C=O" ;
dbp:inchikey "InChIKey=MOQGCGNUWBPGTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003940 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "226TC1y1ccC6" ;
skos:prefLabel "2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde"@nl .
csc:BVGDXTYHVRFEQZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:107953 ;
dbo:casNumber "77102-82-0" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H" ;
dbo:iupacName "1,2-dibromo-4-(3,4-dibromophenyl)benzene"@en ;
dbo:pubchem "107953"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=BVGDXTYHVRFEQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE77" ;
skos:prefLabel "3,3',4,4'-tetrabroomdifenylether"@nl .
csc:CHEMONTID_0001019
skos:narrower csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N .
csc:CHEMONTID_0000020
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000020 ;
skos:definition "Compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:GXAMYUGOODKVRM-UHFFFAOYSA-N , csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N , csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N , csc:FRIJWEQBTIZQMD-UHFFFAOYSA-N , csc:CZIHNRWJTSTCEX-UHFFFAOYSA-N , csc:HAPOJKSPCGLOOD-UHFFFAOYSA-N , csc:YLQWCDOCJODRMT-UHFFFAOYSA-N , csc:SVOAUHHKPGKPQK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000020" ;
skos:prefLabel "Fluorenes"@en .
csc:WXWCDTXEKCVRRO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8445 ;
dbo:casNumber "120-71-8" ;
dbo:formula "C8H11NO" ;
dbo:inchi "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2-Methoxy-5-methylaniline"@en ;
dbo:pubchem "8445"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)OC)N" ;
dbp:inchikey "InChIKey=WXWCDTXEKCVRRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yoansdne" ;
skos:prefLabel "5-methyl-o-anisidine"@nl .
csc:BXAONUZFBUNTQR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11933 ;
dbo:casNumber "612-83-9" ;
dbo:formula "C12H12Cl4N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride"@en ;
dbo:pubchem "11933"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl" ;
dbp:inchikey "InChIKey=BXAONUZFBUNTQR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdnDHC" ;
skos:prefLabel "3,3'-dichloorbenzidine dihydrochloride"@nl .
csc:WXFWXFIWDGJRSC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:78974 ;
dbo:casNumber "332-77-4" ;
dbo:formula "C6H10O3" ;
dbo:inchi "InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3" ;
dbo:iupacName "2,5-DIMETHOXY-2,5-DIHYDROFURAN"@en ;
dbo:pubchem "78974"^^xsd:int ;
dbo:smiles "COC1C=CC(O1)OC" ;
dbp:inchikey "InChIKey=WXFWXFIWDGJRSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DHOx25DC1o" ;
skos:prefLabel "2,5-dihydro-2,5-dimethoxyfuran"@nl .
csc:HPNMFZURTQLUMO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:8021 ;
dbo:casNumber "109-89-7" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3" ;
dbo:iupacName "N-ethylethanamine"@en ;
dbo:pubchem "8021"^^xsd:int ;
dbo:smiles "CCNCC" ;
dbp:inchikey "InChIKey=HPNMFZURTQLUMO-UHFFFAOYSA-N" ;
skos:altLabel "di-ethylamine"@nl , "di-ethylamine "@nl ;
skos:broader csc:CHEMONTID_0002228 ;
skos:exactMatch wise:CAS_109-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yAe" ;
skos:prefLabel "diethylamine"@nl ;
vcs:vmmParameterId "496"^^xsd:int .
csc:KYWIYKKSMDLRDC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8163 ;
dbo:casNumber "112-12-9" ;
dbo:formula "C11H22O" ;
dbo:inchi "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3" ;
dbo:iupacName "Undecan-2-one"@en ;
dbo:pubchem "8163"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(=O)C" ;
dbp:inchikey "InChIKey=KYWIYKKSMDLRDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C11on" ;
skos:prefLabel "2-undecanon"@nl .
csc:FPYJFEHAWHCUMM-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7923 ;
dbo:casNumber "224641-15-0" , "224641-13-8" , "108-31-6" , "24937-72-2" , "224641-16-1" , "184288-31-1" ;
dbo:formula "C4H2O3" ;
dbo:inchi "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H" ;
dbo:iupacName "furan-2,5-dione"@en ;
dbo:pubchem "7923"^^xsd:int ;
dbo:smiles "C1=CC(=O)OC1=O" ;
dbp:inchikey "InChIKey=FPYJFEHAWHCUMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002223 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25furDon" ;
skos:prefLabel "2,5-furaandion"@nl .
csc:GUYMMHOQXYZMJQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7603 ;
dbo:casNumber "102-27-2" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3" ;
dbo:iupacName "N-Ethyl-3-methylaniline"@en ;
dbo:pubchem "7603"^^xsd:int ;
dbo:smiles "CCNC1=CC=CC(=C1)C" ;
dbp:inchikey "InChIKey=GUYMMHOQXYZMJQ-UHFFFAOYSA-N" ;
skos:altLabel "n-ethyl-3-methylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC2y3C1yAn" ;
skos:prefLabel "N-ethyl-3-methylaniline"@nl .
csc:CHEMONTID_0001162
skos:narrower csc:SUDHEDJJFGYYPL-UHFFFAOYSA-N , csc:NPPQSCRMBWNHMW-UHFFFAOYSA-N .
csc:MBGYSHXGENGTBP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20342 ;
dbo:casNumber "4337-65-9" ;
dbo:formula "C14H26O4" ;
dbo:inchi "InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)" ;
dbo:iupacName "6-(2-ethylhexoxy)-6-oxohexanoic acid"@en ;
dbo:pubchem "20342"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)CCCCC(=O)O" ;
dbp:inchikey "InChIKey=MBGYSHXGENGTBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "M2C2yC6yC6aD" ;
skos:prefLabel "mono-(2-ethylhexyl)-hexaandioaat"@nl .
cscl:kingdom a xkos:ClassificationLevel ;
xkos:depth "1"^^xsd:positiveInteger ;
skos:definition "The top level (Kingdom) partitions chemicals into two dis-joint categories: organic compounds versus inorganic compounds. "@en ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:CHEMONTID_0000001 , csc:CHEMONTID_0000000 ;
skos:prefLabel "Rijk"@nl .
csc:PPTYJKAXVCCBDU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3380 ;
dbo:casNumber "1622-62-4" ;
dbo:formula "C16H12FN3O3" ;
dbo:inchi "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3" ;
dbo:iupacName "5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "3380"^^xsd:int ;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F" ;
dbp:inchikey "InChIKey=PPTYJKAXVCCBDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluntzpm" ;
skos:prefLabel "flunitrazepam"@nl .
csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7255 ;
dbo:casNumber "95-74-9" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3" ;
dbo:iupacName "3-Chloro-4-methylaniline"@en ;
dbo:pubchem "7255"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)Cl" ;
dbp:inchikey "InChIKey=RQKFYFNZSHWXAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:exactMatch wise:CAS_95-74-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1yAn" ;
skos:prefLabel "3-chloor-4-methylaniline"@nl ;
vcs:vmmParameterId "1501"^^xsd:int .
csc:WXZOXVVKILCOPG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8733 ;
dbo:casNumber "137-89-3" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,3-dicarboxylate"@en ;
dbo:pubchem "8733"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC" ;
dbp:inchikey "InChIKey=WXZOXVVKILCOPG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bis2C2yC6yEs" ;
skos:prefLabel "bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur"@nl .
csc:ORMSTDJYMPIZAO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9666 ;
dbo:casNumber "134237-34-6" , "359-28-4" ;
dbo:formula "C2H2Cl3F" ;
dbo:inchi "InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H" ;
dbo:iupacName "1,1,2-TRICHLORO-2-FLUOROETHANE"@en ;
dbo:pubchem "9666"^^xsd:int ;
dbo:smiles "C(C(Cl)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=ORMSTDJYMPIZAO-UHFFFAOYSA-N" ;
skos:altLabel "1,2,2-trichloorfluorethaan (Fc-131)"@nl ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK131" ;
skos:prefLabel "1,2,2-trichloorfluorethaan (fc-131)"@nl .
csc:CHEMONTID_0001077
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001077 ;
skos:definition "Inorganic non-metallic compoundscontaining a sulfate as its largest oxoanion."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:ZGCHATBSUIJLRL-UHFFFAOYSA-N , csc:QAOWNCQODCNURD-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001077" ;
skos:prefLabel "Non-metal sulfates"@en .
csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6591 ;
dbo:casNumber "79-34-5" ;
dbo:formula "C2H2Cl4" ;
dbo:inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H" ;
dbo:iupacName "1,1,2,2-Tetrachloroethane"@en ;
dbo:pubchem "6591"^^xsd:int ;
dbo:smiles "C(C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=QPFMBZIOSGYJDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_79-34-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1122T4ClC2a" ;
skos:prefLabel "1,1,2,2-tetrachloorethaan"@nl ;
vcs:vmmParameterId "309"^^xsd:int .
csc:LTEQMZWBSYACLV-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14109 ;
dbo:casNumber "1077-16-3" , "1320-01-0" , "74296-34-7" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3" ;
dbo:iupacName "Hexylbenzene"@en ;
dbo:pubchem "14109"^^xsd:int ;
dbo:smiles "CCCCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=LTEQMZWBSYACLV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C6yBen" ;
skos:prefLabel "hexylbenzeen"@nl .
csc:OWBTYPJTUOEWEK-ZXZARUISSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:220010 ;
dbo:casNumber "5341-95-7" , "513-85-9" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+" ;
dbo:iupacName "(2R,3S)-butane-2,3-diol"@en ;
dbo:pubchem "220010"^^xsd:int ;
dbo:smiles "CC(C(C)O)O" ;
dbp:inchikey "InChIKey=OWBTYPJTUOEWEK-ZXZARUISSA-N" ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23C4aDol" ;
skos:prefLabel "dimethylglycol"@nl .
csc:CHEMONTID_0000476
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000476 ;
skos:definition "Organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000476" ;
skos:prefLabel "Cinnamic acids and derivatives"@en .
csc:PYZSVQVRHDXQSL-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18771 ;
dbo:casNumber "11096-35-8" , "95591-89-2" , "3347-22-6" ;
dbo:formula "C14H4N2O2S2" ;
dbo:inchi "InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H" ;
dbo:iupacName "5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile"@en ;
dbo:pubchem "18771"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N" ;
dbp:inchikey "InChIKey=PYZSVQVRHDXQSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtann" ;
skos:prefLabel "dithianon"@nl .
csc:XQEMNBNCQVQXMO-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39424 ;
dbo:casNumber "43222-48-6" ;
dbo:formula "C18H20N2O4S" ;
dbo:inchi "InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1" ;
dbo:iupacName "1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate"@en ;
dbo:pubchem "39424"^^xsd:int ;
dbo:smiles "CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]" ;
dbp:inchikey "InChIKey=XQEMNBNCQVQXMO-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DfzqtC1ySO4" ;
skos:prefLabel "difenzoquatmethylsulfaat"@nl .
csc:ZOLLIQAKMYWTBR-UDIJVJLMSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5357179 ;
dbo:casNumber "4904-61-4" , "2765-29-9" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8+" ;
dbo:iupacName "(1Z,5E,9Z)-cyclododeca-1,5,9-triene"@en ;
dbo:pubchem "5357179"^^xsd:int ;
dbo:smiles "C1CC=CCCC=CCCC=C1" ;
dbp:inchikey "InChIKey=ZOLLIQAKMYWTBR-UDIJVJLMSA-N" ;
skos:broader csc:CHEMONTID_0002840 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "159ccddcten" ;
skos:prefLabel "1,5,9-cyclododecatrieen"@nl .
csc:TVFDJXOCXUVLDH-OUBTZVSYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335485 ;
dbo:casNumber "13967-70-9" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1+1" ;
dbo:iupacName "cesium-134"@en ;
dbo:pubchem "6335485"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs134" ;
skos:prefLabel "cesium 134"@nl .
csc:UTBVIMLZIRIFFR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11989 ;
dbo:casNumber "615-22-5" , "64036-43-7" , "31621-01-9" ;
dbo:formula "C8H7NS2" ;
dbo:inchi "InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3" ;
dbo:iupacName "2-methylsulfanyl-1,3-benzothiazole"@en ;
dbo:pubchem "11989"^^xsd:int ;
dbo:smiles "CSC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "InChIKey=UTBVIMLZIRIFFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ytobztazl" ;
skos:prefLabel "2-methylthiobenzothiazool"@nl .
csc:SBNFWQZLDJGRLK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4767 ;
dbo:casNumber "53528-32-8" , "26002-80-2" , "73170-79-3" ;
dbo:formula "C23H26O3" ;
dbo:inchi "InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3" ;
dbo:iupacName "[3-(phenoxy)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "4767"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C" ;
dbp:inchikey "InChIKey=SBNFWQZLDJGRLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentn" ;
skos:prefLabel "fenothrin"@nl .
csc:XPKFTIYOZUJAGA-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66756 ;
dbo:casNumber "94-85-9" ;
dbo:formula "C10H15NO2" ;
dbo:inchi "InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3" ;
dbo:iupacName "2,5-Diethoxyaniline"@en ;
dbo:pubchem "66756"^^xsd:int ;
dbo:smiles "CCOC1=CC(=C(C=C1)OCC)N" ;
dbp:inchikey "InChIKey=XPKFTIYOZUJAGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC2oxAn" ;
skos:prefLabel "2,5-diethoxyaniline"@nl .
csc:AMCOFRYQNUYHDX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61994 ;
dbo:casNumber "41766-75-0" ;
dbo:formula "C14H18F2N2" ;
dbo:inchi "InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H" ;
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride"@en ;
dbo:pubchem "61994"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F" ;
dbp:inchikey "InChIKey=AMCOFRYQNUYHDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1ybzdnDH" ;
skos:prefLabel "3,3'-dimethylbenzidine dihydrofluoride"@nl .
csc:AUQAUAIUNJIIEP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17592 ;
dbo:casNumber "2686-99-9" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,4,5-trimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17592"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=AUQAUAIUNJIIEP-UHFFFAOYSA-N" ;
skos:altLabel "trimethacarb"@nl ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tmtcb" ;
skos:prefLabel "3,4,5-trimethacarb"@nl .
csc:CSEBNABAWMZWIF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:114481 ;
dbo:casNumber "13252-13-6" , "26099-32-1" ;
dbo:formula "C6HF11O3" ;
dbo:inchi "InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)" ;
dbo:iupacName "2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid"@en ;
dbo:pubchem "114481"^^xsd:int ;
dbo:smiles "C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O" ;
dbp:inchikey "InChIKey=CSEBNABAWMZWIF-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-2-propoxypropaanzuur (hfpo-da)"@nl , "perfluor-2-propoxypropaanzuur"@nl , "2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur"@nl ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FRD-903" ;
skos:prefLabel "2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur"@nl .
csc:AFOVBPMGZPJPKX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66550 ;
dbo:casNumber "85-07-4" ;
dbo:formula "C13H13NO" ;
dbo:inchi "InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)" ;
dbo:iupacName "2-(2-methylnaphthalen-1-yl)acetamide"@en ;
dbo:pubchem "66550"^^xsd:int ;
dbo:smiles "CC1=C(C2=CC=CC=C2C=C1)CC(=O)N" ;
dbp:inchikey "InChIKey=AFOVBPMGZPJPKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yntacAd" ;
skos:prefLabel "methylnaftylaceetamide"@nl .
csc:DUBNHZYBDBBJHD-UHFFFAOYSA-L
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8722 ;
dbo:casNumber "14459-91-7" , "137-30-4" , "8059-74-3" , "14460-20-9" , "50933-80-7" , "12773-04-5" , "98391-07-2" , "55870-88-7" , "12768-61-5" , "111922-61-3" , "31300-71-7" , "8070-07-3" , "19488-81-4" , "17125-91-6" ;
dbo:formula "C6H12N2S4Zn" ;
dbo:inchi "InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2" ;
dbo:iupacName "zinc dimethylaminomethanedithioate"@en ;
dbo:pubchem "8722"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]" ;
dbp:inchikey "InChIKey=DUBNHZYBDBBJHD-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "zirm" ;
skos:prefLabel "ziram"@nl .
csc:WSLDOOZREJYCGB-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3)"@nl , "VLAR II Art. 5.7.1.4/Art. 5.7.7.1"@nl ;
rdfs:seeAlso compound:11 ;
dbo:casNumber "107-06-2" , "52399-93-6" , "7572-29-4" ;
dbo:formula "C2H4Cl2" ;
dbo:inchi "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" ;
dbo:iupacName "['1,2-dichloroethane', '1,2-dichloroethyne']"@en ;
dbo:pubchem "11"^^xsd:int ;
dbo:smiles "C(CCl)Cl" ;
dbp:inchikey "InChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:altLabel "1,2-dichloorethaan (edc)"@nl ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_107-06-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC2a" ;
skos:prefLabel "1,2-dichloorethaan"@nl ;
vcs:vmmParameterId "319"^^xsd:int .
csc:INGSNVSERUZOAK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86863 ;
dbo:casNumber "19395-41-6" ;
dbo:formula "C13H17NO2" ;
dbo:inchi "InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)" ;
dbo:iupacName "2-phenyl-2-piperidin-2-ylacetic acid"@en ;
dbo:pubchem "86863"^^xsd:int ;
dbo:smiles "C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "InChIKey=INGSNVSERUZOAK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ritlnzr" ;
skos:prefLabel "ritalinezuur"@nl .
csc:KYYIDSXMWOZKMP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:125017 ;
dbo:casNumber "93413-62-8" ;
dbo:formula "C16H25NO2" ;
dbo:inchi "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3" ;
dbo:iupacName "4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol"@en ;
dbo:pubchem "125017"^^xsd:int ;
dbo:smiles "CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O" ;
dbp:inchikey "InChIKey=KYYIDSXMWOZKMP-UHFFFAOYSA-N" ;
skos:altLabel "o-desmethylvenlafaxine"@nl ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desvlfxne" ;
skos:prefLabel "desvenlafaxine"@nl .
csc:CTKINSOISVBQLD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11164 ;
dbo:casNumber "556-52-5" , "98913-54-3" , "61915-27-3" ;
dbo:formula "C3H6O2" ;
dbo:inchi "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2" ;
dbo:iupacName "oxiran-2-ylmethanol"@en ;
dbo:pubchem "11164"^^xsd:int ;
dbo:smiles "C1C(O1)CO" ;
dbp:inchikey "InChIKey=CTKINSOISVBQLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycdl" ;
skos:prefLabel "glycidol"@nl .
csc:CHEMONTID_0000455
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000455 ;
skos:definition "Organic compounds belonging to either the actinide hydrides, actinide nitrides, actinide oxides, or actinide sulfides."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000455" ;
skos:prefLabel "Actinide organides"@en .
csc:CHEMONTID_0002204
skos:narrower csc:BAQAVOSOZGMPRM-QBMZZYIRSA-N .
csc:RMBFBMJGBANMMK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8461 ;
dbo:casNumber "25321-14-6" , "121-14-2" , "1326-41-6" , "185376-54-9" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline']"@en ;
dbo:pubchem "8461"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RMBFBMJGBANMMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2Tol" ;
skos:prefLabel "2,4-dinitrotolueen"@nl .
csc:UWTUEMKLYAGTNQ-OWOJBTEDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637929 ;
dbo:casNumber "25429-23-6" , "590-12-5" , "31389-08-9" ;
dbo:formula "C2H2Br2" ;
dbo:inchi "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+" ;
dbo:iupacName "['(E)-1,2-Dibromoethene', '1,2-Dibromoethene']"@en ;
dbo:pubchem "637929"^^xsd:int ;
dbo:smiles "C(=CBr)Br" ;
dbp:inchikey "InChIKey=UWTUEMKLYAGTNQ-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c12DBrC2e" ;
skos:prefLabel "cis-1,2-dibroometheen"@nl .
csc:CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5362118 ;
dbo:casNumber "83915-83-7" , "76547-98-3" , "82009-35-6" ;
dbo:formula "C21H35N3O7" ;
dbo:inchi "InChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1" ;
dbo:iupacName "(2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate"@en ;
dbo:pubchem "5362118"^^xsd:int ;
dbo:smiles "C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O" ;
dbp:inchikey "InChIKey=CZRQXSDBMCMPNJ-ZUIPZQNBSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lisnpl" ;
skos:prefLabel "lisinopril"@nl .
csc:DROMNWUQASBTFM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6787 ;
dbo:casNumber "84-76-4" , "68515-45-7" , "68648-92-0" ;
dbo:formula "C26H42O4" ;
dbo:inchi "InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3" ;
dbo:iupacName "dinonyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6787"^^xsd:int ;
dbo:smiles "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC" ;
dbp:inchikey "InChIKey=DROMNWUQASBTFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC9yFt" ;
skos:prefLabel "dinonylftalaat"@nl .
cscl:superclass a xkos:ClassificationLevel ;
xkos:depth "2"^^xsd:positiveInteger ;
skos:definition "SuperClasses (which includes 26 organic and 5 inorganic categories) consist of generic categories of compounds with general structural identifiers (e.g. organic acids and derivatives, phenylpropanoids and polyketides, organometallic com-pounds, homogeneous metal compounds), each of which covers millions of known compounds. "@en ;
skos:inScheme vlcs:chemische_stof ;
skos:member csc:CHEMONTID_0004478 , csc:CHEMONTID_0000264 , csc:CHEMONTID_0000424 , csc:CHEMONTID_0000002 , csc:CHEMONTID_0000261 , csc:CHEMONTID_0002837 , csc:CHEMONTID_0001392 , csc:CHEMONTID_0003630 , csc:CHEMONTID_0002448 , csc:CHEMONTID_0000279 , csc:CHEMONTID_0004150 , csc:CHEMONTID_0000462 , csc:CHEMONTID_0004603 , csc:CHEMONTID_0000004 , csc:CHEMONTID_0000423 , csc:CHEMONTID_0004707 , csc:CHEMONTID_0000012 , csc:CHEMONTID_0000289 , csc:CHEMONTID_0000267 , csc:CHEMONTID_0000422 , csc:CHEMONTID_0003865 , csc:CHEMONTID_0000400 ;
skos:prefLabel "Superklasse"@nl .
csc:SCYULBFZEHDVBN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6365 ;
dbo:casNumber "75-34-3" ;
dbo:formula "C2H4Cl2" ;
dbo:inchi "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3" ;
dbo:iupacName "1,1-DICHLOROETHANE"@en ;
dbo:pubchem "6365"^^xsd:int ;
dbo:smiles "CC(Cl)Cl" ;
dbp:inchikey "InChIKey=SCYULBFZEHDVBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_75-34-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DClC2a" ;
skos:prefLabel "1,1-dichloorethaan"@nl ;
vcs:vmmParameterId "311"^^xsd:int .
csc:JLTDJTHDQAWBAV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:949 ;
dbo:casNumber "168153-21-7" , "121-69-7" , "162744-63-0" , "171745-67-8" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3" ;
dbo:iupacName "N,N-dimethylaniline"@en ;
dbo:pubchem "949"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=JLTDJTHDQAWBAV-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1yAn" ;
skos:prefLabel "N,N-dimethylaniline"@nl .
csc:CHEMONTID_0001603
skos:narrower csc:YQEMORVAKMFKLG-UHFFFAOYSA-N .
csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:8113 ;
dbo:casNumber "8033-73-6" , "61791-46-6" , "61791-44-4" , "111-42-2" ;
dbo:formula "C4H11NO2" ;
dbo:inchi "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2" ;
dbo:iupacName "2-(2-Hydroxyethylamino)ethanol"@en ;
dbo:pubchem "8113"^^xsd:int ;
dbo:smiles "C(CO)NCCO" ;
dbp:inchikey "InChIKey=ZBCBWPMODOFKDW-UHFFFAOYSA-N" ;
skos:altLabel "diethanolamine"@nl , "2,2’-iminodiethanol "@nl ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2olAe" ;
skos:prefLabel "2,2’-iminodiethanol"@nl .
csc:JRLPEMVDPFPYPJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12160 ;
dbo:casNumber "622-96-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3" ;
dbo:iupacName "1-Ethyl-4-methylbenzene"@en ;
dbo:pubchem "12160"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C" ;
dbp:inchikey "InChIKey=JRLPEMVDPFPYPJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C2yTol" ;
skos:prefLabel "4-ethyltolueen"@nl .
csc:WCUXLLCKKVVCTQ-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4873 ;
dbo:casNumber "7447-40-7" , "126415-35-8" , "12599-00-7" , "59217-68-4" ;
dbo:formula "ClK" ;
dbo:inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" ;
dbo:iupacName "Potassium chloride"@en ;
dbo:pubchem "4873"^^xsd:int ;
dbo:smiles "[Cl-].[K+]" ;
dbp:inchikey "InChIKey=WCUXLLCKKVVCTQ-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KCl" ;
skos:prefLabel "kaliumchloride"@nl .
csc:GYHFUZHODSMOHU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31289 ;
dbo:casNumber "75718-12-6" , "124-19-6" ;
dbo:formula "C9H18O" ;
dbo:inchi "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3" ;
dbo:iupacName "Nonanal"@en ;
dbo:pubchem "31289"^^xsd:int ;
dbo:smiles "CCCCCCCCC=O" ;
dbp:inchikey "InChIKey=GYHFUZHODSMOHU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9al" ;
skos:prefLabel "nonanal"@nl .
csc:GZUXJHMPEANEGY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6323 ;
dbo:casNumber "74-83-9" ;
dbo:formula "CH3Br" ;
dbo:inchi "InChI=1S/CH3Br/c1-2/h1H3" ;
dbo:iupacName "Bromomethane"@en ;
dbo:pubchem "6323"^^xsd:int ;
dbo:smiles "CBr" ;
dbp:inchikey "InChIKey=GZUXJHMPEANEGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-83-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrC1a" ;
skos:prefLabel "broommethaan"@nl ;
vcs:vmmParameterId "370"^^xsd:int .
csc:CHEMONTID_0001518
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001518 ;
skos:definition "Compounds containing a chemical bond between a carbon atom and an iodine atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BULLJMKUVKYZDJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001518" ;
skos:prefLabel "Organoiodides"@en .
csc:WQNQTJSLPDZSDK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:157337 ;
dbo:casNumber "80475-32-7" ;
dbo:formula "C13H17F13N2O3S" ;
dbo:inchi "InChI=1S/C13H17F13N2O3S/c1-27(2)5-3-6-28(29)32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h28H,3-7H2,1-2H3" ;
dbo:iupacName "3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide"@en ;
dbo:pubchem "157337"^^xsd:int ;
dbo:smiles "CN(C)CCC[NH+]([O-])S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=WQNQTJSLPDZSDK-UHFFFAOYSA-N" ;
skos:altLabel "N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0000270 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide"@nl .
csc:FDPIMTJIUBPUKL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7288 ;
dbo:casNumber "96-22-0" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3" ;
dbo:iupacName "pentan-3-one"@en ;
dbo:pubchem "7288"^^xsd:int ;
dbo:smiles "CCC(=O)CC" ;
dbp:inchikey "InChIKey=FDPIMTJIUBPUKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C5on" ;
skos:prefLabel "3-pentanon"@nl .
csc:HPFVBGJFAYZEBE-ZLQWOROUSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441404 ;
dbo:casNumber "58-20-8" ;
dbo:formula "C27H40O3" ;
dbo:inchi "InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1" ;
dbo:iupacName "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate"@en ;
dbo:pubchem "441404"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35C" ;
dbp:inchikey "InChIKey=HPFVBGJFAYZEBE-ZLQWOROUSA-N" ;
skos:broader csc:CHEMONTID_0001691 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "testtrcpont" ;
skos:prefLabel "testosteron cypionaat"@nl .
csc:CHEMONTID_0003410
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003410 ;
skos:definition "Organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003410" ;
skos:prefLabel "1-benzopyrans"@en .
csc:UWNADWZGEHDQAB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11592 ;
dbo:casNumber "592-13-2" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,5-Dimethylhexane"@en ;
dbo:pubchem "11592"^^xsd:int ;
dbo:smiles "CC(C)CCC(C)C" ;
dbp:inchikey "InChIKey=UWNADWZGEHDQAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yC6a" ;
skos:prefLabel "2,5-dimethylhexaan"@nl .
csc:CHEMONTID_0001661
skos:narrower csc:QNVRIHYSUZMSGM-UHFFFAOYSA-N , csc:ARXJGSRGQADJSQ-UHFFFAOYSA-N , csc:JOLQKTGDSGKSKJ-UHFFFAOYSA-N , csc:UCRQJBCLZKHOGX-UHFFFAOYSA-N , csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N , csc:HPFDGTFXAVIVTH-UHFFFAOYSA-N , csc:AQIXEPGDORPWBJ-UHFFFAOYSA-N , csc:JCTXKRPTIMZBJT-UHFFFAOYSA-N , csc:CUVLMZNMSPJDON-UHFFFAOYSA-N , csc:WVYWICLMDOOCFB-UHFFFAOYSA-N , csc:FOLPKOWCPVGUCA-UHFFFAOYSA-N , csc:RWNUSVWFHDHRCJ-UHFFFAOYSA-N , csc:HXQPUEQDBSPXTE-UHFFFAOYSA-N , csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N .
csc:RTZZCYNQPHTPPL-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11137 ;
dbo:casNumber "554-84-7" ;
dbo:formula "C6H5NO3" ;
dbo:inchi "InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H" ;
dbo:iupacName "3-Nitrophenol"@en ;
dbo:pubchem "11137"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RTZZCYNQPHTPPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Fol" ;
skos:prefLabel "3-nitrofenol"@nl .
csc:KLSJWNVTNUYHDU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1639 ;
dbo:casNumber "29212-82-6" , "11121-00-9" , "16681-74-6" , "6051-75-8" , "65312-61-0" , "155-25-9" , "30922-30-6" , "61-82-5" ;
dbo:formula "C2H4N4" ;
dbo:inchi "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)" ;
dbo:iupacName "2H-1,2,4-triazol-3-amine"@en ;
dbo:pubchem "1639"^^xsd:int ;
dbo:smiles "C1=NNC(=N1)N" ;
dbp:inchikey "InChIKey=KLSJWNVTNUYHDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtl" ;
skos:prefLabel "amitrol"@nl .
csc:CHEMONTID_0000434
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000434 ;
skos:definition "Inorganic non-metallic compounds in which the largest atom belongs to the class of 'other nonmetals'."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BUGBHKTXTAQXES-UHFFFAOYSA-N , csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N , csc:BUGBHKTXTAQXES-AHCXROLUSA-N , csc:OAICVXFJPJFONN-UHFFFAOYSA-N , csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N , csc:XLYOFNOQVPJJNP-UHFFFAOYSA-N , csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N , csc:XLYOFNOQVPJJNP-ZSJDYOACSA-N , csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N , csc:OBSZRRSYVTXPNB-UHFFFAOYSA-N , csc:MHAJPDPJQMAIIY-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000434" ;
skos:prefLabel "Homogeneous other non-metal compounds"@en .
csc:FWQYJOPJMIEKHZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:94411 ;
dbo:casNumber "30391-89-0" ;
dbo:formula "C10H14N2O" ;
dbo:inchi "InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)" ;
dbo:iupacName "2-amino-N-propan-2-ylbenzamide"@en ;
dbo:pubchem "94411"^^xsd:int ;
dbo:smiles "CC(C)NC(=O)C1=CC=CC=C1N" ;
dbp:inchikey "InChIKey=FWQYJOPJMIEKHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004413 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yantnlAd" ;
skos:prefLabel "isopropylanthranilamide"@nl .
csc:DOOTYTYQINUNNV-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6506 ;
dbo:casNumber "77-93-0" ;
dbo:formula "C12H20O7" ;
dbo:inchi "InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3" ;
dbo:iupacName "1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate"@en ;
dbo:pubchem "6506"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O" ;
dbp:inchikey "InChIKey=DOOTYTYQINUNNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001986 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2ycitt" ;
skos:prefLabel "triethylcitraat"@nl .
csc:CHEMONTID_0003808
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0003808 ;
skos:definition "Glycerolipids that carry exactly one acyl chain attached to the glycerol moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0003808" ;
skos:prefLabel "Monoradylglycerols"@en .
csc:MUBZPKHOEPUJKR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:971 ;
dbo:casNumber "216451-38-6" , "144-62-7" , "2847-15-6" , "97993-78-7" , "63504-28-9" ;
dbo:formula "C2H2O4" ;
dbo:inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" ;
dbo:iupacName "oxalic acid"@en ;
dbo:pubchem "971"^^xsd:int ;
dbo:smiles "C(=O)(C(=O)O)O" ;
dbp:inchikey "InChIKey=MUBZPKHOEPUJKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxzr" ;
skos:prefLabel "oxaalzuur"@nl .
csc:CHEMONTID_0001093
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001093 ;
skos:definition "Derivatives of carboxylic acid."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001093" ;
skos:prefLabel "Carboxylic acid derivatives"@en .
csc:HCHKCACWOHOZIP-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23994 ;
dbo:casNumber "12793-53-2" , "195161-85-4" , "15176-26-8" , "7440-66-6" , "19229-95-9" , "199281-21-5" ;
dbo:formula "Zn" ;
dbo:inchi "InChI=1S/Zn" ;
dbo:iupacName "Zinc"@en ;
dbo:pubchem "23994"^^xsd:int ;
dbo:smiles "[Zn]" ;
dbp:inchikey "InChIKey=HCHKCACWOHOZIP-UHFFFAOYSA-N" ;
skos:altLabel "zink"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-66-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zn" ;
skos:prefLabel "zink, opgelost"@nl ;
vcs:vmmParameterId "205"^^xsd:int , "1983"^^xsd:int , "204"^^xsd:int , "203"^^xsd:int .
csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13619 ;
dbo:casNumber "933-78-8" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H" ;
dbo:iupacName "2,3,5-TRICHLOROPHENOL"@en ;
dbo:pubchem "13619"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1O)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WWGQHTJIFOQAOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002771 ;
skos:exactMatch wise:CAS_933-78-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235TClFol" ;
skos:prefLabel "2,3,5-trichloorfenol"@nl ;
vcs:vmmParameterId "339"^^xsd:int .
csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7931 ;
dbo:casNumber "108-41-8" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-3-methylbenzene"@en ;
dbo:pubchem "7931"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)Cl" ;
dbp:inchikey "InChIKey=OSOUNOBYRMOXQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-41-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClTol" ;
skos:prefLabel "3-chloortolueen"@nl ;
vcs:vmmParameterId "359"^^xsd:int .
csc:KZNRNQGTVRTDPN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:32883 ;
dbo:casNumber "95-72-7" , "35442-53-6" ;
dbo:formula "C8H9Cl" ;
dbo:inchi "InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2-Chloro-1,4-dimethylbenzene"@en ;
dbo:pubchem "32883"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)Cl" ;
dbp:inchikey "InChIKey=KZNRNQGTVRTDPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl14C1yBen" ;
skos:prefLabel "2-chloor-1,4-dimethylbenzeen"@nl .
csc:LYAGTVMJGHTIDH-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61198 ;
dbo:casNumber "693-21-0" , "66492-77-1" ;
dbo:formula "C4H8N2O7" ;
dbo:inchi "InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2" ;
dbo:iupacName "2-(2-nitrooxyethoxy)ethyl nitrate"@en ;
dbo:pubchem "61198"^^xsd:int ;
dbo:smiles "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=LYAGTVMJGHTIDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yegcDNO3" ;
skos:prefLabel "diethyleenglycoldinitraat"@nl .
csc:NUNQKTCKURIZQX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:40007 ;
dbo:casNumber "51422-54-9" ;
dbo:formula "C8H18O2" ;
dbo:inchi "InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3" ;
dbo:iupacName "2-(2-Ethoxyethoxy)-2-methylpropane"@en ;
dbo:pubchem "40007"^^xsd:int ;
dbo:smiles "CCOCCOC(C)(C)C" ;
dbp:inchikey "InChIKey=NUNQKTCKURIZQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1tC4ox2C2oxC" ;
skos:prefLabel "1-tert-butoxy-2-ethoxyethaan"@nl .
csc:KKEYFWRCBNTPAC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7489 ;
dbo:casNumber "211863-90-0" , "100-21-0" ;
dbo:formula "C8H6O4" ;
dbo:inchi "InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)" ;
dbo:iupacName "Terephthalic acid"@en ;
dbo:pubchem "7489"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C(=O)O)C(=O)O" ;
dbp:inchikey "InChIKey=KKEYFWRCBNTPAC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001108 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terfzr" ;
skos:prefLabel "tereftaalzuur"@nl .
csc:YFSLABAYQDPWPF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:40473 ;
dbo:casNumber "52663-66-8" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40473"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YFSLABAYQDPWPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB130" ;
skos:prefLabel "2,2',3,3',4,5'-hexachloorbifenyl"@nl .
csc:GXDHCNNESPLIKD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11582 ;
dbo:casNumber "31394-54-4" , "591-76-4" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3" ;
dbo:iupacName "2-Methylhexane"@en ;
dbo:pubchem "11582"^^xsd:int ;
dbo:smiles "CCCCC(C)C" ;
dbp:inchikey "InChIKey=GXDHCNNESPLIKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC6a" ;
skos:prefLabel "2-methylhexaan"@nl .
csc:GUVLYNGULCJVDO-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12968 ;
dbo:casNumber "759-94-4" ;
dbo:formula "C9H19NOS" ;
dbo:inchi "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "S-ethyl (dipropylamino)methanethioate"@en ;
dbo:pubchem "12968"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCC" ;
dbp:inchikey "InChIKey=GUVLYNGULCJVDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EPTC" ;
skos:prefLabel "ethyldipropylthiocarbamaat"@nl .
csc:SECPZKHBENQXJG-BQYQJAHWSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282745 ;
dbo:casNumber "10030-73-6" , "2091-29-4" ;
dbo:formula "C16H30O2" ;
dbo:inchi "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+" ;
dbo:iupacName "['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid']"@en ;
dbo:pubchem "5282745"^^xsd:int ;
dbo:smiles "CCCCCCC=CCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=SECPZKHBENQXJG-BQYQJAHWSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C16ezr" ;
skos:prefLabel "9-hexadeceenzuur"@nl .
csc:QKLPUVXBJHRFQZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66890 ;
dbo:casNumber "27890-59-1" , "102-65-8" ;
dbo:formula "C10H9ClN4O2S" ;
dbo:inchi "InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)" ;
dbo:iupacName "4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "66890"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl" ;
dbp:inchikey "InChIKey=QKLPUVXBJHRFQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfaclozine"@nl .
csc:ATBAMAFKBVZNFJ-YPZZEJLDSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335489 ;
dbo:casNumber "13966-02-4" ;
dbo:formula "Be" ;
dbo:inchi "InChI=1S/Be/i1-2" ;
dbo:iupacName "beryllium-7"@en ;
dbo:pubchem "6335489"^^xsd:int ;
dbo:smiles "[Be]" ;
dbp:inchikey "InChIKey=ATBAMAFKBVZNFJ-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Be7" ;
skos:prefLabel "beryllium 7"@nl .
csc:XOGYQVITULCUGU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12469 ;
dbo:casNumber "634-91-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2" ;
dbo:iupacName "3,4,5-TRICHLOROANILINE"@en ;
dbo:pubchem "12469"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)N" ;
dbp:inchikey "InChIKey=XOGYQVITULCUGU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TClAn" ;
skos:prefLabel "3,4,5-trichlooraniline"@nl .
csc:QCAHVKJGHYVLIS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77407 ;
dbo:casNumber "3776-30-5" ;
dbo:formula "C6H6Cl4O" ;
dbo:inchi "InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2" ;
dbo:iupacName "2,2,6,6-Tetrachlorocyclohexan-1-one"@en ;
dbo:pubchem "77407"^^xsd:int ;
dbo:smiles "C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=QCAHVKJGHYVLIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004809 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2266T4ClccC6" ;
skos:prefLabel "2,2,6,6-tetrachloorcyclohexanon"@nl .
csc:INYDMNPNDHRJQJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11883 ;
dbo:casNumber "610-39-9" ;
dbo:formula "C7H6N2O4" ;
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3" ;
dbo:iupacName "4-Methyl-1,2-dinitrobenzene"@en ;
dbo:pubchem "11883"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=INYDMNPNDHRJQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DNO2Tol" ;
skos:prefLabel "3,4-dinitrotolueen"@nl .
csc:MPPOHAUSNPTFAJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86134 ;
dbo:casNumber "73519-55-8" , "108093-88-5" , "95617-09-7" , "113158-40-0" ;
dbo:formula "C16H12ClNO5" ;
dbo:inchi "InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)" ;
dbo:iupacName "2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid"@en ;
dbo:pubchem "86134"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=MPPOHAUSNPTFAJ-UHFFFAOYSA-N" ;
skos:altLabel "fenoxaprop-P"@nl ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenoxppP" ;
skos:prefLabel "fenoxaprop-p"@nl .
csc:HYTRYEXINDDXJK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11265 ;
dbo:casNumber "565-69-5" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpentan-3-one"@en ;
dbo:pubchem "11265"^^xsd:int ;
dbo:smiles "CCC(=O)C(C)C" ;
dbp:inchikey "InChIKey=HYTRYEXINDDXJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y3C5on" ;
skos:prefLabel "2-methyl-3-pentanon"@nl .
csc:JLEKLYQXZHJOTQ-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:45489782 ;
dbo:casNumber "55589-62-3" , "33665-90-6" ;
dbo:formula "C4H4KNO4S" ;
dbo:inchi "InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6,7,8);/q;+1/p-1" ;
dbo:iupacName "['potassium 6-methyl-2,2-dioxooxathiazin-4-olate', 'potassium 6-methyl-2,2-dioxo-1-oxa-2$l^{6}-thia-3-azanidacyclohex-5-en-4-one']"@en ;
dbo:pubchem "45489782"^^xsd:int ;
dbo:smiles "CC1=CC(=O)N=S(=O)(O1)[O-].[K+]" ;
dbp:inchikey "InChIKey=JLEKLYQXZHJOTQ-UHFFFAOYSA-M" ;
skos:altLabel "acesulfaam"@nl , "acesulfame K"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acsfm" , "acsfmeK" ;
skos:prefLabel "acesulfame k"@nl .
csc:FRPZMMHWLSIFAZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5634 ;
dbo:casNumber "1333-28-4" , "112-38-9" ;
dbo:formula "C11H20O2" ;
dbo:inchi "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)" ;
dbo:iupacName "Undec-10-enoic acid"@en ;
dbo:pubchem "5634"^^xsd:int ;
dbo:smiles "C=CCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=FRPZMMHWLSIFAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11ezr" ;
skos:prefLabel "undeceenzuur"@nl .
csc:CHEMONTID_0004446
skos:narrower csc:ILBWBNOBGCYGSU-UHFFFAOYSA-N .
csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:977 ;
dbo:casNumber "7782-44-7" , "80217-98-7" , "58238-79-2" , "1338-93-8" , "80937-33-3" , "12185-07-8" , "14797-70-7" ;
dbo:formula "O2" ;
dbo:inchi "InChI=1S/O2/c1-2" ;
dbo:iupacName "Molecular oxygen"@en ;
dbo:pubchem "977"^^xsd:int ;
dbo:smiles "O=O" ;
dbp:inchikey "InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "zuurstof"@nl , "Zuurstof (O2)"@nl , "zuurstof (o2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "O2" ;
skos:prefLabel "zuurstof, opgeloste"@nl .
csc:QQONPFPTGQHPMA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8252 ;
dbo:casNumber "115-07-1" , "33004-01-2" , "676-63-1" ;
dbo:formula "C3H6" ;
dbo:inchi "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3" ;
dbo:iupacName "prop-1-ene"@en ;
dbo:pubchem "8252"^^xsd:int ;
dbo:smiles "CC=C" ;
dbp:inchikey "InChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004476 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3e" ;
skos:prefLabel "1-propeen"@nl .
csc:IJJVMEJXYNJXOJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86417 ;
dbo:casNumber "136426-54-5" ;
dbo:formula "C16H8Cl2FN5O" ;
dbo:inchi "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H" ;
dbo:iupacName "3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one"@en ;
dbo:pubchem "86417"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl" ;
dbp:inchikey "InChIKey=IJJVMEJXYNJXOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluqcnzl" ;
skos:prefLabel "fluquinconazool"@nl .
csc:WSWCOQWTEOXDQX-MQQKCMAXSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:643460 ;
dbo:casNumber "22500-92-1" , "91751-55-2" , "110-44-1" , "5309-56-8" ;
dbo:formula "C6H8O2" ;
dbo:inchi "InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+" ;
dbo:iupacName "['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid']"@en ;
dbo:pubchem "643460"^^xsd:int ;
dbo:smiles "CC=CC=CC(=O)O" ;
dbp:inchikey "InChIKey=WSWCOQWTEOXDQX-MQQKCMAXSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sorbnzr" ;
skos:prefLabel "sorbinezuur"@nl .
csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16248 ;
dbo:casNumber "2032-65-7" , "716-16-5" ;
dbo:formula "C11H15NO2S" ;
dbo:inchi "InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16248"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1SC)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=YFBPRJGDJKVWAH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:exactMatch wise:CAS_2032-65-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocb" ;
skos:prefLabel "methiocarb"@nl ;
vcs:vmmParameterId "1025"^^xsd:int .
csc:ZDHYERRNXRANLI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19578 ;
dbo:casNumber "3761-42-0" ;
dbo:formula "C10H15O5PS2" ;
dbo:inchi "InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19578"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=ZDHYERRNXRANLI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentosfn" ;
skos:prefLabel "fenthion-sulfon"@nl .
csc:UPGTYLFCVNHBTN-XMLQVSDQSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6441561 ;
dbo:casNumber "34347-28-9" , "136897-21-7" , "137760-64-6" , "6810-14-6" , "70755-51-0" , "566-89-2" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23?,24+,25+,26+,27-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "6441561"^^xsd:int ;
dbo:smiles "CC(C)CC=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=UPGTYLFCVNHBTN-XMLQVSDQSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chol522Den3b" ;
skos:prefLabel "cholesta-5,22-dien-3-beta-ol"@nl .
csc:RAGOYPUPXAKGKH-XAKZXMRKSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:468595 ;
dbo:casNumber "171228-49-2" ;
dbo:formula "C37H42F2N8O4" ;
dbo:inchi "InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1" ;
dbo:iupacName "4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "468595"^^xsd:int ;
dbo:smiles "CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F" ;
dbp:inchikey "InChIKey=RAGOYPUPXAKGKH-XAKZXMRKSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "poscnzl" ;
skos:prefLabel "posaconazol"@nl .
csc:UMGXUWVIJIQANV-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16957 ;
dbo:casNumber "20256-56-8" , "2390-68-3" ;
dbo:formula "C22H48BrN" ;
dbo:inchi "InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "didecyl-dimethylazanium bromide"@en ;
dbo:pubchem "16957"^^xsd:int ;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]" ;
dbp:inchikey "InChIKey=UMGXUWVIJIQANV-UHFFFAOYSA-M" ;
skos:altLabel "didecyldimethylammonium"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDMAB" ;
skos:prefLabel "didecyldimethylammoniumbromide"@nl .
csc:REDXJYDRNCIFBQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104727 ;
dbo:casNumber "22537-23-1" ;
dbo:formula "Al+3" ;
dbo:inchi "InChI=1S/Al/q+3" ;
dbo:iupacName "aluminum(+3) cation"@en ;
dbo:pubchem "104727"^^xsd:int ;
dbo:smiles "[Al+3]" ;
dbp:inchikey "InChIKey=REDXJYDRNCIFBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlIII" ;
skos:prefLabel "aluminium (driewaardig)"@nl .
csc:JFIMDKGRGPNPRQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38411 ;
dbo:casNumber "53742-07-7" , "40186-72-9" , "55684-91-8" ;
dbo:formula "C12HCl9" ;
dbo:inchi "InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "38411"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JFIMDKGRGPNPRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB206" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6-nonachloorbifenyl"@nl .
csc:CHEMONTID_0001534
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001534 ;
skos:definition "Lipids structurally characterized by the presence of a quinone or hydroquinone moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001534" ;
skos:prefLabel "Quinone and hydroquinone lipids"@en .
csc:VMUNAKQXJLHODT-VAWYXSNFSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5283363 ;
dbo:casNumber "7069-41-2" , "7774-82-5" ;
dbo:formula "C13H24O" ;
dbo:inchi "InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+" ;
dbo:iupacName "['tridec-2-enal', '(E)-tridec-2-enal']"@en ;
dbo:pubchem "5283363"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC=CC=O" ;
dbp:inchikey "InChIKey=VMUNAKQXJLHODT-VAWYXSNFSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C10yacline" ;
skos:prefLabel "3-decylacroleine"@nl .
csc:GRWFGVWFFZKLTI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6654 ;
dbo:casNumber "103657-08-5" , "72510-05-5" , "25766-18-1" , "2437-95-8" , "53569-35-0" , "67762-73-6" , "80-56-8" , "56833-58-0" , "57762-87-5" , "68411-25-6" , "50815-61-7" , "39423-40-0" , "39388-04-0" , "102640-64-2" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3" ;
dbo:iupacName "4,7,7-trimethylbicyclo[3.1.1]hept-3-ene"@en ;
dbo:pubchem "6654"^^xsd:int ;
dbo:smiles "CC1=CCC2CC1C2(C)C" ;
dbp:inchikey "InChIKey=GRWFGVWFFZKLTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "apnn" ;
skos:prefLabel "alfa-pineen"@nl .
csc:CHEMONTID_0000307
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000307 ;
skos:definition "Organic compounds containing a saturated seven member heterocycle, with one nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DEDOPGXGGQYYMW-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000307" ;
skos:prefLabel "Azepanes"@en .
csc:UIWYJDYFSGRHKR-AHCXROLUSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161049 ;
dbo:casNumber "14276-65-4" ;
dbo:formula "Gd" ;
dbo:inchi "InChI=1S/Gd/i1-4" ;
dbo:iupacName "gadolinium-153"@en ;
dbo:pubchem "161049"^^xsd:int ;
dbo:smiles "[Gd]" ;
dbp:inchikey "InChIKey=UIWYJDYFSGRHKR-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Gd153" ;
skos:prefLabel "gadolinium 153"@nl .
csc:PVLKQJLDEXCKNY-JYLPYTDFSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6321393 ;
dbo:casNumber "6459-94-5" , "25317-45-7" ;
dbo:formula "C37H28N4Na2O10S3" ;
dbo:inchi "InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,40H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38?,41-37-;;" ;
dbo:iupacName "disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate"@en ;
dbo:pubchem "6321393"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=C5C(=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=PVLKQJLDEXCKNY-JYLPYTDFSA-L" ;
skos:altLabel "c.i. acid red 114"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ciard114" ;
skos:prefLabel "C.I. Acid Red 114"@nl .
csc:JOATXPAWOHTVSZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2663 ;
dbo:casNumber "56980-93-9" ;
dbo:formula "C20H33N3O4" ;
dbo:inchi "InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)" ;
dbo:iupacName "3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea"@en ;
dbo:pubchem "2663"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C" ;
dbp:inchikey "InChIKey=JOATXPAWOHTVSZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "celpll" ;
skos:prefLabel "celiprolol"@nl .
csc:NATWUQFQFMZVMT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14110 ;
dbo:casNumber "1077-56-1" ;
dbo:formula "C9H13NO2S" ;
dbo:inchi "InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3" ;
dbo:iupacName "N-Ethyl-2-methylbenzenesulfonamide"@en ;
dbo:pubchem "14110"^^xsd:int ;
dbo:smiles "CCNS(=O)(=O)C1=CC=CC=C1C" ;
dbp:inchikey "InChIKey=NATWUQFQFMZVMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y2C1yBensf" ;
skos:prefLabel "ethyl-2-methylbenzeensulfonamide"@nl .
csc:QYMMJNLHFKGANY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38779 ;
dbo:casNumber "61287-51-2" , "61230-42-0" , "81116-98-5" , "41198-08-7" , "81123-19-5" ;
dbo:formula "C11H15BrClO3PS" ;
dbo:inchi "InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3" ;
dbo:iupacName "4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene"@en ;
dbo:pubchem "38779"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl" ;
dbp:inchikey "InChIKey=QYMMJNLHFKGANY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "profnfs" ;
skos:prefLabel "profenofos"@nl .
csc:DXBHBZVCASKNBY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2) 'benzo(a)antraceen'"@nl ;
rdfs:seeAlso compound:5954 ;
dbo:casNumber "56-55-3" ;
dbo:formula "C18H12" ;
dbo:inchi "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H" ;
dbo:iupacName "Benzo[a]anthracene"@en ;
dbo:pubchem "5954"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32" ;
dbp:inchikey "InChIKey=DXBHBZVCASKNBY-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benz(a)anthraceen"@nl , "benzo(a)antra-ceen"@nl , "benzo(a)antraceen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_56-55-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BaA" ;
skos:prefLabel "benzo(a)anthraceen"@nl ;
vcs:vmmParameterId "1422"^^xsd:int , "420"^^xsd:int .
csc:ZVQXQPNJHRNGID-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18745 ;
dbo:casNumber "3333-52-6" ;
dbo:formula "C8H12N2" ;
dbo:inchi "InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3" ;
dbo:iupacName "2,2,3,3-Tetramethylbutanedinitrile"@en ;
dbo:pubchem "18745"^^xsd:int ;
dbo:smiles "CC(C)(C#N)C(C)(C)C#N" ;
dbp:inchikey "InChIKey=ZVQXQPNJHRNGID-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yC4aDntl" ;
skos:prefLabel "tetramethylbutaandinitril"@nl .
csc:CHEMONTID_0000365
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000365 ;
skos:definition "Compounds containing a cyclohexylsulfamic acid moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:HCAJEUSONLESMK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000365" ;
skos:prefLabel "Cyclamates"@en .
csc:HPXRVTGHNJAIIH-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7966 ;
dbo:casNumber "108-93-0" ;
dbo:formula "C6H12O" ;
dbo:inchi "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2" ;
dbo:iupacName "Cyclohexanol"@en ;
dbo:pubchem "7966"^^xsd:int ;
dbo:smiles "C1CCC(CC1)O" ;
dbp:inchikey "InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6ol" ;
skos:prefLabel "cyclohexanol"@nl .
csc:GXNNLIMMEXHBKV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38012 ;
dbo:casNumber "38379-99-6" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38012"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=GXNNLIMMEXHBKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB95" ;
skos:prefLabel "2,2',3,5',6-pentachloorbifenyl"@nl .
csc:ZXQYGBMAQZUVMI-QQDHXZELSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6435500 ;
dbo:casNumber "91465-08-6" ;
dbo:formula "C23H19ClF3NO3" ;
dbo:inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "6435500"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C" ;
dbp:inchikey "InChIKey=ZXQYGBMAQZUVMI-QQDHXZELSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lcyhltn" ;
skos:prefLabel "lambda-cyhalothrin"@nl .
csc:RJKCKKDSSSRYCB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:92299 ;
dbo:casNumber "35256-85-0" ;
dbo:formula "C15H23NO" ;
dbo:inchi "InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" ;
dbo:iupacName "2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide"@en ;
dbo:pubchem "92299"^^xsd:int ;
dbo:smiles "CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C" ;
dbp:inchikey "InChIKey=RJKCKKDSSSRYCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebtm" ;
skos:prefLabel "tebutam"@nl .
csc:CHEMONTID_0001030
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001030 ;
skos:definition "Organic compounds containing the acyl chloride functional group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QGSRKGWCQSATCL-UHFFFAOYSA-N , csc:CVZDIUZSWUDGOP-UHFFFAOYSA-N , csc:RGVYUPIYFIVQDS-UHFFFAOYSA-N , csc:PORQOHRXAJJKGK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001030" ;
skos:prefLabel "Aryl chlorides"@en .
csc:CVRALZAYCYJELZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:30709 ;
dbo:casNumber "73307-66-1" , "73307-67-2" , "73270-49-2" , "21609-90-5" ;
dbo:formula "C13H10BrCl2O2PS" ;
dbo:inchi "InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "30709"^^xsd:int ;
dbo:smiles "COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl" ;
dbp:inchikey "InChIKey=CVRALZAYCYJELZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "leptfs" ;
skos:prefLabel "leptofos"@nl .
csc:KSMVNVHUTQZITP-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:39929 ;
dbo:casNumber "51207-31-9" ;
dbo:formula "C12H4Cl4O" ;
dbo:inchi "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H" ;
dbo:iupacName "2,3,7,8-TETRACHLORODIBENZOFURAN"@en ;
dbo:pubchem "39929"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=KSMVNVHUTQZITP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,7,8-tetrachloordibenzofuran"@nl , " 2,3,7,8-tetrachloordibenzofuraan"@nl , "2,3,7,8-tetrachloordibenzofuraan (tecdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_51207-31-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF83" ;
skos:prefLabel "2,3,7,8-tetrachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1237"^^xsd:int .
csc:KXDAEFPNCMNJSK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2331 ;
dbo:casNumber "27208-38-4" , "55-21-0" ;
dbo:formula "C7H7NO" ;
dbo:inchi "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)" ;
dbo:iupacName "Benzamide"@en ;
dbo:pubchem "2331"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)N" ;
dbp:inchikey "InChIKey=KXDAEFPNCMNJSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000178 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzAd" ;
skos:prefLabel "benzamide"@nl .
csc:SQNZJJAZBFDUTD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7269 ;
dbo:casNumber "95-93-2" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3" ;
dbo:iupacName "1,2,4,5-Tetramethylbenzene"@en ;
dbo:pubchem "7269"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C)C)C" ;
dbp:inchikey "InChIKey=SQNZJJAZBFDUTD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1245T4C1yBen" ;
skos:prefLabel "1,2,4,5-tetramethylbenzeen"@nl .
csc:WRYLYDPHFGVWKC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11230 ;
dbo:casNumber "28219-82-1" , "1336-05-6" , "562-74-3" ;
dbo:formula "C10H18O" ;
dbo:inchi "InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3" ;
dbo:iupacName "4-methyl-1-propan-2-ylcyclohex-3-en-1-ol"@en ;
dbo:pubchem "11230"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)(C(C)C)O" ;
dbp:inchikey "InChIKey=WRYLYDPHFGVWKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4terpnol" ;
skos:prefLabel "4-terpineol"@nl .
csc:OCJYIGYOJCODJL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4034 ;
dbo:casNumber "569-65-3" ;
dbo:formula "C25H27ClN2" ;
dbo:inchi "InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3" ;
dbo:iupacName "1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine"@en ;
dbo:pubchem "4034"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl" ;
dbp:inchikey "InChIKey=OCJYIGYOJCODJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "meczne" ;
skos:prefLabel "meclozine"@nl .
csc:QYEGXUUXWMKHHS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36093 ;
dbo:casNumber "26444-37-1" , "58863-15-3" , "32241-08-0" ;
dbo:formula "C10HCl7" ;
dbo:inchi "InChI=1S/C10HCl7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1H" ;
dbo:iupacName "1,2,3,4,5,6,8-Heptachloronaphthalene"@en ;
dbo:pubchem "36093"^^xsd:int ;
dbo:smiles "C1=C(C2=C(C(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QYEGXUUXWMKHHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HpClNaf" ;
skos:prefLabel "heptachloornaftaleen"@nl .
csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:338733 ;
dbo:casNumber "84852-15-3" , "24518-48-7" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3" ;
dbo:iupacName "4-(7-methyloctyl)phenol"@en ;
dbo:pubchem "338733"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=JSFITYFUKSFPBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_84852-15-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "s4C9yFol" ;
skos:prefLabel "som 4-nonylfenol-isomeren (vertakt)"@nl ;
vcs:vmmParameterId "972"^^xsd:int .
csc:ZFIVKAOQEXOYFY-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11254 ;
dbo:casNumber "298-18-0" , "1464-53-5" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2" ;
dbo:iupacName "2-(oxiran-2-yl)oxirane"@en ;
dbo:pubchem "11254"^^xsd:int ;
dbo:smiles "C1C(O1)C2CO2" ;
dbp:inchikey "InChIKey=ZFIVKAOQEXOYFY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DepOxC4a" ;
skos:prefLabel "diepoxybutaan"@nl .
csc:YIKSCQDJHCMVMK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10113 ;
dbo:casNumber "4745-68-0" , "471-46-5" ;
dbo:formula "C2H4N2O2" ;
dbo:inchi "InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)" ;
dbo:iupacName "OXAMIDE"@en ;
dbo:pubchem "10113"^^xsd:int ;
dbo:smiles "C(=O)(C(=O)N)N" ;
dbp:inchikey "InChIKey=YIKSCQDJHCMVMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaAd" ;
skos:prefLabel "oxamide"@nl .
csc:VHOVSQVSAAQANU-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62781 ;
dbo:casNumber "24307-26-4" , "15302-91-7" ;
dbo:formula "C7H16ClN" ;
dbo:inchi "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1" ;
dbo:iupacName "1,1-dimethylpiperidin-1-ium chloride"@en ;
dbo:pubchem "62781"^^xsd:int ;
dbo:smiles "C[N+]1(CCCCC1)C.[Cl-]" ;
dbp:inchikey "InChIKey=VHOVSQVSAAQANU-UHFFFAOYSA-M" ;
skos:altLabel "mepiquat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepqat" , "mepqCl" ;
skos:prefLabel "mepiquatchloride"@nl .
csc:CHEMONTID_0000259
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000259 ;
skos:definition "Lipids synthesized from the five-carbon-unit precursors isopentenyl diphosphate and dimethylallyl diphosphate."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000259" ;
skos:prefLabel "Prenol lipids"@en .
csc:PXWUKZGIHQRDHL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15359 ;
dbo:casNumber "1610-17-9" ;
dbo:formula "C9H17N5O" ;
dbo:inchi "InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)" ;
dbo:iupacName "N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "15359"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)OC)NC(C)C" ;
dbp:inchikey "InChIKey=PXWUKZGIHQRDHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "attn" ;
skos:prefLabel "atraton"@nl .
csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74483 ;
dbo:casNumber "132324-11-9" , "1763-23-1" ;
dbo:formula "C8HF17O3S" ;
dbo:inchi "InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid"@en ;
dbo:pubchem "74483"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=YFSUTJLHUFNCNZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-octaansulfonzuur"@nl , "perfluoroctaansul-fonzuur en zijn derivaten (pfos)"@nl , "perfluoroctaansulfonzuur (lineair)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:exactMatch wise:CAS_1763-23-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOS" ;
skos:prefLabel "perfluoroctaansulfonzuur (pfos)"@nl ;
vcs:vmmParameterId "2132"^^xsd:int , "1044"^^xsd:int , "2133"^^xsd:int .
csc:LGBAGUMSAPUZPU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:175686 ;
dbo:casNumber "96507-86-7" ;
dbo:formula "C30H50O4" ;
dbo:inchi "InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3" ;
dbo:iupacName "bis(9-methyldecyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "175686"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=LGBAGUMSAPUZPU-UHFFFAOYSA-N" ;
skos:altLabel "di-isoundecylftalaat (mix van isomeren)"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC11yFt" ;
skos:prefLabel "diisoundecylftalaat"@nl .
csc:UVCOILFBWYKHHB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4540 ;
dbo:casNumber "2886-65-9" ;
dbo:formula "C15H10ClFN2O" ;
dbo:inchi "InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)" ;
dbo:iupacName "7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "4540"^^xsd:int ;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F" ;
dbp:inchikey "InChIKey=UVCOILFBWYKHHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfDazpm" ;
skos:prefLabel "norfludiazepam"@nl .
csc:QFMJFXFXQAFGBO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66793 ;
dbo:casNumber "96-96-8" ;
dbo:formula "C7H8N2O3" ;
dbo:inchi "InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methoxy-2-nitroaniline"@en ;
dbo:pubchem "66793"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QFMJFXFXQAFGBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1ox2NO2An" ;
skos:prefLabel "4-methoxy-2-nitroaniline"@nl .
csc:HGUFODBRKLSHSI-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:15625 ;
dbo:casNumber "56795-67-6" , "1746-01-6" ;
dbo:formula "C12H4Cl4O2" ;
dbo:inchi "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H" ;
dbo:iupacName "2,3,7,8-tetrachlorooxanthrene"@en ;
dbo:pubchem "15625"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl" ;
dbp:inchikey "InChIKey=HGUFODBRKLSHSI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,7,8-tetrachloordibenzodioxine"@nl , " 2,3,7,8-tetrachloordibenzodioxine"@nl , "2,3,7,8-tetrachloordibenzodioxine (tcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_1746-01-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD48" ;
skos:prefLabel "2,3,7,8-tetrachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "341"^^xsd:int .
csc:CHEMONTID_0001550
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001550 ;
skos:definition "Terpenes with three consecutive isoprene units."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:FUCYIEXQVQJBKY-UHFFFAOYSA-N , csc:LBWPYRZGHYVSEL-UHFFFAOYSA-N , csc:QFMDFTQOJHFVNR-UHFFFAOYSA-N , csc:CRDAMVZIKSXKFV-YFVJMOTDSA-N , csc:PSQYTAPXSHCGMF-BQYQJAHWSA-N , csc:GIBQERSGRNPMEH-UHFFFAOYSA-N , csc:UPVZPMJSRSWJHQ-HTXSYXIBSA-N , csc:WHWDWIHXSPCOKZ-UHFFFAOYSA-N , csc:NFGXHKASABOEEW-LDRANXPESA-N , csc:FYQGBXGJFWXIPP-UEVLXMDPSA-N , csc:JRJBVWJSTHECJK-LUAWRHEFSA-N ;
skos:notation "CHEMONTID:0001550" ;
skos:prefLabel "Sesquiterpenoids"@en .
csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:137941 ;
dbo:casNumber "3453-99-4" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3" ;
dbo:iupacName "2,2-Dimethoxybutane"@en ;
dbo:pubchem "137941"^^xsd:int ;
dbo:smiles "CCC(C)(OC)OC" ;
dbp:inchikey "InChIKey=OXQHJIGWZNIQDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1oxC4a" ;
skos:prefLabel "2,2-dimethoxybutaan"@nl .
csc:CHEMONTID_0000323
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000323 ;
skos:definition "Organic compounds containing a bond between a carbon atom and an oxygen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:OIPMQULDKWSNGX-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000323" ;
skos:prefLabel "Organooxygen compounds"@en .
csc:XGQJZNCFDLXSIJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17697 ;
dbo:casNumber "2765-11-9" ;
dbo:formula "C15H30O" ;
dbo:inchi "InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3" ;
dbo:iupacName "Pentadecanal"@en ;
dbo:pubchem "17697"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC=O" ;
dbp:inchikey "InChIKey=XGQJZNCFDLXSIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C15al" ;
skos:prefLabel "pentadecanal"@nl .
csc:XAUGWFWQVYXATQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74296 ;
dbo:casNumber "1678-25-7" ;
dbo:formula "C12H11NO2S" ;
dbo:inchi "InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H" ;
dbo:iupacName "N-Phenylbenzenesulfonamide"@en ;
dbo:pubchem "74296"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=XAUGWFWQVYXATQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bensfanlde" ;
skos:prefLabel "benzeensulfonanilide"@nl .
csc:CKPWHXBGVRURFU-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:97768 ;
dbo:casNumber "3369-52-6" ;
dbo:formula "C9H6Cl6O" ;
dbo:inchi "InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "97768"^^xsd:int ;
dbo:smiles "C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CKPWHXBGVRURFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfetr" ;
skos:prefLabel "endosulfanether"@nl .
csc:CHEMONTID_0001465
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001465 ;
skos:definition "Organic compounds containing or derived from anatoxin, homoanatoxin or other analogues. Anatoxins constitute a class of potent neurotoxic alkaloids."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SGNXVBOIDPPRJJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001465" ;
skos:prefLabel "Anatoxins"@en .
csc:HCHKCACWOHOZIP-IGMARMGPSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91574 ;
dbo:casNumber "13982-39-3" ;
dbo:formula "Zn" ;
dbo:inchi "InChI=1S/Zn/i1+0" ;
dbo:iupacName "zinc-65"@en ;
dbo:pubchem "91574"^^xsd:int ;
dbo:smiles "[Zn]" ;
dbp:inchikey "InChIKey=HCHKCACWOHOZIP-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Zn65" ;
skos:prefLabel "zink 65"@nl .
csc:OFCFYWOKHPOXKF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6621 ;
dbo:casNumber "80-00-2" , "8012-45-1" ;
dbo:formula "C12H9ClO2S" ;
dbo:inchi "InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-chloro-4-phenylsulfonylbenzene"@en ;
dbo:pubchem "6621"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=OFCFYWOKHPOXKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFyFysfn" ;
skos:prefLabel "4-chloorfenyl fenylsulfon"@nl .
csc:CHEMONTID_0004441
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004441 ;
skos:definition "Organometallic compounds containing an allylic group attached to the metal atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JDWJZEXJARCHAT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004441" ;
skos:prefLabel "Metal allyls"@en .
csc:SXRSQZLOMIGNAQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3485 ;
dbo:casNumber "37245-61-7" , "107950-89-0" , "111-30-8" , "79215-57-9" , "29257-65-6" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2" ;
dbo:iupacName "Pentanedial"@en ;
dbo:pubchem "3485"^^xsd:int ;
dbo:smiles "C(CC=O)CC=O" ;
dbp:inchikey "InChIKey=SXRSQZLOMIGNAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glutAh" ;
skos:prefLabel "glutaaraldehyde"@nl .
csc:CHEMONTID_0000238
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000238 ;
skos:definition "Naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000238" ;
skos:prefLabel "Tannins"@en .
csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'"@nl , "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'"@nl , "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'"@nl , "VLAR III (D3, diverse art) 'Sn'"@nl ;
rdfs:seeAlso compound:5352426 ;
dbo:casNumber "7440-31-5" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn" ;
dbo:iupacName "TIN"@en ;
dbo:pubchem "5352426"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "InChIKey=ATJFFYVFTNAWJD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_010 , co:LUC_I_002 ;
skos:altLabel "tin (sn)"@nl , "tin, opgelost"@nl , "Tin (Sn)"@nl ;
skos:broader csc:CHEMONTID_0000427 ;
skos:definition "tin en tinverbindingen, uitgedrukt als tin (Sn)"@nl ;
skos:exactMatch wise:CAS_7440-31-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn" ;
skos:prefLabel "tin"@nl ;
vcs:vmmParameterId "192"^^xsd:int , "191"^^xsd:int , "193"^^xsd:int , "1969"^^xsd:int .
csc:HOQADATXFBOEGG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32872 ;
dbo:casNumber "25311-71-1" , "103982-07-6" , "61711-63-5" , "103982-06-5" , "52907-24-1" ;
dbo:formula "C15H24NO4PS" ;
dbo:inchi "InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)" ;
dbo:iupacName "propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate"@en ;
dbo:pubchem "32872"^^xsd:int ;
dbo:smiles "CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "InChIKey=HOQADATXFBOEGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iffs" ;
skos:prefLabel "isofenfos"@nl .
csc:HYVWIQDYBVKITD-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12898 ;
dbo:casNumber "731-27-1" ;
dbo:formula "C10H13Cl2FN2O2S2" ;
dbo:inchi "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline"@en ;
dbo:pubchem "12898"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C" ;
dbp:inchikey "InChIKey=HYVWIQDYBVKITD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfande" ;
skos:prefLabel "tolylfluanide"@nl .
csc:GIBQERSGRNPMEH-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6949 ;
dbo:casNumber "88-84-6" , "34766-41-1" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3" ;
dbo:iupacName "1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene"@en ;
dbo:pubchem "6949"^^xsd:int ;
dbo:smiles "CC1CCC(=C(C)C)CC2=C1CCC2C" ;
dbp:inchikey "InChIKey=GIBQERSGRNPMEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "guaiene" ;
skos:prefLabel "guaiene"@nl .
csc:MSXVEPNJUHWQHW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6405 ;
dbo:casNumber "75-85-4" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3" ;
dbo:iupacName "2-Methylbutan-2-ol"@en ;
dbo:pubchem "6405"^^xsd:int ;
dbo:smiles "CCC(C)(C)O" ;
dbp:inchikey "InChIKey=MSXVEPNJUHWQHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y2C4ol" ;
skos:prefLabel "2-methyl-2-butanol"@nl .
csc:XRHGWAGWAHHFLF-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39223 ;
dbo:casNumber "65357-77-9" , "42509-80-8" , "57425-06-6" ;
dbo:formula "C9H17ClN3O3PS" ;
dbo:inchi "InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3" ;
dbo:iupacName "(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "39223"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C" ;
dbp:inchikey "InChIKey=XRHGWAGWAHHFLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004623 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iszfs" ;
skos:prefLabel "isazofos"@nl .
csc:HNZUNIKWNYHEJJ-FMIVXFBMSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1549778 ;
dbo:casNumber "689-67-8" , "3796-70-1" , "68228-05-7" ;
dbo:formula "C13H22O" ;
dbo:inchi "InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+" ;
dbo:iupacName "['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one']"@en ;
dbo:pubchem "1549778"^^xsd:int ;
dbo:smiles "CC(=CCCC(=CCCC(=O)C)C)C" ;
dbp:inchikey "InChIKey=HNZUNIKWNYHEJJ-FMIVXFBMSA-N" ;
skos:broader csc:CHEMONTID_0001127 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tganactn" ;
skos:prefLabel "trans-geranylaceton"@nl .
csc:BKIXWRBZCQEZAQ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:56262 ;
dbo:casNumber "91538-84-0" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H" ;
dbo:iupacName "1,2,3,4,7,9-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "56262"^^xsd:int ;
dbo:smiles "C1=C(C=C(C2=C1OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BKIXWRBZCQEZAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF119" ;
skos:prefLabel "1,2,3,4,7,9-hexachloordibenzofuraan"@nl .
csc:MHKLKWCYGIBEQF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7619 ;
dbo:casNumber "40860-79-5" , "31440-29-6" , "108251-60-1" , "102-77-2" , "35309-99-0" ;
dbo:formula "C11H12N2OS2" ;
dbo:inchi "InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2" ;
dbo:iupacName "2-morpholin-4-ylsulfanyl-1,3-benzothiazole"@en ;
dbo:pubchem "7619"^^xsd:int ;
dbo:smiles "C1COCCN1SC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "InChIKey=MHKLKWCYGIBEQF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2mflntobztaz" ;
skos:prefLabel "2-morfoline(thio)benzothiazool"@nl .
csc:QNXSIUBBGPHDDE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6735 ;
dbo:casNumber "30286-23-8" , "83-33-0" ;
dbo:formula "C9H8O" ;
dbo:inchi "InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2" ;
dbo:iupacName "2,3-dihydroinden-1-one"@en ;
dbo:pubchem "6735"^^xsd:int ;
dbo:smiles "C1CC(=O)C2=CC=CC=C21" ;
dbp:inchikey "InChIKey=QNXSIUBBGPHDDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1indnn" ;
skos:prefLabel "1-indanon"@nl .
csc:CHEMONTID_0002528
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002528 ;
skos:definition "Alcohols substituted by a halogen atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups (usually used to mean beta-halo alcohols)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002528" ;
skos:prefLabel "Halohydrins"@en .
csc:CHEMONTID_0000302
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000302 ;
skos:definition "Organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000302" ;
skos:prefLabel "Benzoxazoles"@en .
csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7239 ;
dbo:casNumber "95-50-1" , "25321-22-6" , "24634-92-2" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H" ;
dbo:iupacName "1,2-Dichlorobenzene"@en ;
dbo:pubchem "7239"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=RFFLAFLAYFXFSW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,2-dichloorbenzeen "@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-50-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClBen" ;
skos:prefLabel "1,2-dichloorbenzeen"@nl ;
vcs:vmmParameterId "318"^^xsd:int .
csc:MHZGKXUYDGKKIU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8916 ;
dbo:casNumber "2016-57-1" ;
dbo:formula "C10H23N" ;
dbo:inchi "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3" ;
dbo:iupacName "decan-1-amine"@en ;
dbo:pubchem "8916"^^xsd:int ;
dbo:smiles "CCCCCCCCCCN" ;
dbp:inchikey "InChIKey=MHZGKXUYDGKKIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC10a" ;
skos:prefLabel "1-aminodecaan"@nl .
csc:CHEMONTID_0000296
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000296 ;
skos:definition "Organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:BNWJOHGLIBDBOB-UHFFFAOYSA-N , csc:MYEIDJPOUKASEC-UHFFFAOYSA-N , csc:XEGGRYVFLWGFHI-UHFFFAOYSA-N , csc:RSXXYTIHSOOFBG-UHFFFAOYSA-N , csc:MUJOIMFVNIBMKC-UHFFFAOYSA-N , csc:VHVOLFRBFDOUSH-NSCUHMNNSA-N , csc:IBDIPBWIXJRJQM-UHFFFAOYSA-N , csc:SATCULPHIDQDRE-UHFFFAOYSA-N , csc:FIPWRIJSWJWJAI-UHFFFAOYSA-N , csc:NGBBVGZWCFBOGO-UHFFFAOYSA-N , csc:SHXWCVYOXRDMCX-UHFFFAOYSA-N , csc:ZMQAAUBTXCXRIC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000296" ;
skos:prefLabel "Benzodioxoles"@en .
csc:PNDPGZBMCMUPRI-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:807 ;
dbo:casNumber "24503-90-0" , "8012-81-5" , "7553-56-2" , "8031-47-8" , "8012-85-9" ;
dbo:formula "I2" ;
dbo:inchi "InChI=1S/I2/c1-2" ;
dbo:iupacName "Molecular iodine"@en ;
dbo:pubchem "807"^^xsd:int ;
dbo:smiles "II" ;
dbp:inchikey "InChIKey=PNDPGZBMCMUPRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "I2" ;
skos:prefLabel "dijodium"@nl .
csc:ZRIKZVLHMGYCIR-NSHDSACASA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159151 ;
dbo:casNumber "87764-37-2" ;
dbo:formula "C14H19NO4" ;
dbo:inchi "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1" ;
dbo:iupacName "(2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid"@en ;
dbo:pubchem "159151"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC" ;
dbp:inchikey "InChIKey=ZRIKZVLHMGYCIR-NSHDSACASA-N" ;
skos:altLabel "metalaxyl metaboliet CGA 62826"@nl ;
skos:broader csc:CHEMONTID_0004148 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mlxlMC62826" ;
skos:prefLabel "metalaxyl metaboliet cga 62826"@nl .
csc:SUDHEDJJFGYYPL-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12709 ;
dbo:casNumber "687-48-9" ;
dbo:formula "C5H11NO2" ;
dbo:inchi "InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3" ;
dbo:iupacName "Ethyl N,N-dimethylcarbamate"@en ;
dbo:pubchem "12709"^^xsd:int ;
dbo:smiles "CCOC(=O)N(C)C" ;
dbp:inchikey "InChIKey=SUDHEDJJFGYYPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yDC1ycbmt" ;
skos:prefLabel "ethyl dimethylcarbamaat"@nl .
csc:BHNHHSOHWZKFOX-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7224 ;
dbo:casNumber "95-20-5" ;
dbo:formula "C9H9N" ;
dbo:inchi "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3" ;
dbo:iupacName "2-Methyl-1H-indole"@en ;
dbo:pubchem "7224"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2N1" ;
dbp:inchikey "InChIKey=BHNHHSOHWZKFOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yidl" ;
skos:prefLabel "2-methylindol"@nl .
csc:USSIQXCVUWKGNF-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4095 ;
dbo:casNumber "297-88-1" , "76-99-3" , "125-58-6" , "5653-80-5" ;
dbo:formula "C21H27NO" ;
dbo:inchi "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3" ;
dbo:iupacName "6-dimethylamino-4,4-di(phenyl)heptan-3-one"@en ;
dbo:pubchem "4095"^^xsd:int ;
dbo:smiles "CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=USSIQXCVUWKGNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metdn" ;
skos:prefLabel "methadon"@nl .
csc:SXPWTBGAZSPLHA-UHFFFAOYSA-M
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31202 ;
dbo:casNumber "122-18-9" , "10328-34-4" , "89004-36-4" , "60484-28-8" ;
dbo:formula "C25H46ClN" ;
dbo:inchi "InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-hexadecyl-dimethylazanium chloride"@en ;
dbo:pubchem "31202"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=SXPWTBGAZSPLHA-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzDC1yC16y" ;
skos:prefLabel "benzyldimethylhexadecylammoniumchloride"@nl .
csc:AFYPFACVUDMOHA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6392 ;
dbo:casNumber "75-72-9" , "185009-43-2" ;
dbo:formula "CClF3" ;
dbo:inchi "InChI=1S/CClF3/c2-1(3,4)5" ;
dbo:iupacName "chloro-trifluoromethane"@en ;
dbo:pubchem "6392"^^xsd:int ;
dbo:smiles "C(F)(F)(F)Cl" ;
dbp:inchikey "InChIKey=AFYPFACVUDMOHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK13" ;
skos:prefLabel "chloortrifluormethaan"@nl .
csc:CBENFWSGALASAD-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24823 ;
dbo:casNumber "74087-86-8" , "10028-15-6" ;
dbo:formula "O3" ;
dbo:inchi "InChI=1S/O3/c1-3-2" ;
dbo:iupacName "OZONE"@en ;
dbo:pubchem "24823"^^xsd:int ;
dbo:smiles "[O-][O+]=O" ;
dbp:inchikey "InChIKey=CBENFWSGALASAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ozn" ;
skos:prefLabel "ozon"@nl .
csc:CHEMONTID_0001359
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001359 ;
skos:definition "Organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JVTAAEKCZFNVCJ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001359" ;
skos:prefLabel "Alpha hydroxy acids and derivatives"@en .
csc:ASWVTGNCAZCNNR-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5327 ;
dbo:casNumber "57-68-1" ;
dbo:formula "C12H14N4O2S" ;
dbo:inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)" ;
dbo:iupacName "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"@en ;
dbo:pubchem "5327"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C" ;
dbp:inchikey "InChIKey=ASWVTGNCAZCNNR-UHFFFAOYSA-N" ;
skos:altLabel "sulfamethazine"@nl ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdmdne" ;
skos:prefLabel "sulfadimidine"@nl .
csc:JCMNMOBHVPONLD-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:74883 ;
dbo:casNumber "2043-47-2" ;
dbo:formula "C6H5F9O" ;
dbo:inchi "InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2" ;
dbo:iupacName "3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol"@en ;
dbo:pubchem "74883"^^xsd:int ;
dbo:smiles "C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=JCMNMOBHVPONLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003967 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "42FTOH" ;
skos:prefLabel "perfluorethylethanol 4:2"@nl .
csc:YSAXEHWHSLANOM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16587 ;
dbo:casNumber "2177-47-1" ;
dbo:formula "C10H10" ;
dbo:inchi "InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3" ;
dbo:iupacName "2-METHYL-1H-INDENE"@en ;
dbo:pubchem "16587"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C1" ;
dbp:inchikey "InChIKey=YSAXEHWHSLANOM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1idn" ;
skos:prefLabel "2-methylindeen"@nl .
csc:YXOVIGZJPGLNGM-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17768 ;
dbo:casNumber "2809-64-5" ;
dbo:formula "C11H14" ;
dbo:inchi "InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h4-5,7H,2-3,6,8H2,1H3" ;
dbo:iupacName "5-methyl-1,2,3,4-tetrahydronaphthalene"@en ;
dbo:pubchem "17768"^^xsd:int ;
dbo:smiles "CC1=C2CCCCC2=CC=C1" ;
dbp:inchikey "InChIKey=YXOVIGZJPGLNGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yT4lne" ;
skos:prefLabel "5-methyltetralin"@nl .
csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5329 ;
dbo:casNumber "723-46-6" , "129378-89-8" ;
dbo:formula "C10H11N3O3S" ;
dbo:inchi "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)" ;
dbo:iupacName "4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "5329"^^xsd:int ;
dbo:smiles "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=JLKIGFTWXXRPMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:exactMatch wise:CAS_723-46-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfmtoazl" ;
skos:prefLabel "sulfamethoxazol"@nl ;
vcs:vmmParameterId "1408"^^xsd:int .
csc:RBTARNINKXHZNM-UHFFFAOYSA-K
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24380 ;
dbo:casNumber "12178-83-5" , "130622-20-7" , "7705-08-0" , "12040-57-2" ;
dbo:formula "Cl3Fe" ;
dbo:inchi "InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3" ;
dbo:iupacName "['trichloroiron', 'iron(+3) cation trichloride']"@en ;
dbo:pubchem "24380"^^xsd:int ;
dbo:smiles "Cl[Fe](Cl)Cl" ;
dbp:inchikey "InChIKey=RBTARNINKXHZNM-UHFFFAOYSA-K" ;
skos:altLabel "ijzer(iii)chloride"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeCl3" ;
skos:prefLabel "ijzer(III)chloride"@nl .
csc:CHEMONTID_0002507
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002507 ;
skos:definition "Naturally occurring oxygen heterocycles with a structure based on a 16-carbon skeleton including a chromanone, chromone or chromane system with a benzyl group at position C-3."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002507" ;
skos:prefLabel "Homoisoflavonoids"@en .
csc:CHEMONTID_0002650
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002650 ;
skos:definition "Phenylpropanoids with a structure containing two aromatic rings joined by a seven carbons (a 1,7-diphenylheptane skeleton) and may have various substituents."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002650" ;
skos:prefLabel "Diarylheptanoids"@en .
csc:VVJKKWFAADXIJK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7853 ;
dbo:casNumber "71550-12-4" , "107-11-9" , "30551-89-4" ;
dbo:formula "C3H7N" ;
dbo:inchi "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2" ;
dbo:iupacName "prop-2-en-1-amine"@en ;
dbo:pubchem "7853"^^xsd:int ;
dbo:smiles "C=CCN" ;
dbp:inchikey "InChIKey=VVJKKWFAADXIJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Ao1C3e" ;
skos:prefLabel "3-amino-1-propeen"@nl .
csc:QGSRKGWCQSATCL-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14503 ;
dbo:casNumber "1192-52-5" ;
dbo:formula "C3Cl2OS2" ;
dbo:inchi "InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6" ;
dbo:iupacName "4,5-dichlorodithiol-3-one"@en ;
dbo:pubchem "14503"^^xsd:int ;
dbo:smiles "C1(=C(SSC1=O)Cl)Cl" ;
dbp:inchikey "InChIKey=QGSRKGWCQSATCL-UHFFFAOYSA-N" ;
skos:altLabel "4,5-dichloor-3h-1,2-dithiool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl3H12Dto" ;
skos:prefLabel "4,5-dichloor-3H-1,2-dithiool-3-on"@nl .
csc:FYWJWWMKCARWQG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33050 ;
dbo:casNumber "41195-90-8" , "25550-53-2" ;
dbo:formula "C7H3Cl2NO" ;
dbo:inchi "InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H" ;
dbo:iupacName "1,2-Dichloro-3-isocyanatobenzene"@en ;
dbo:pubchem "33050"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N=C=O" ;
dbp:inchikey "InChIKey=FYWJWWMKCARWQG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClFyiCN" ;
skos:prefLabel "2,3-dichloorfenylisocyanaat"@nl .
csc:CHEMONTID_0001423
skos:narrower csc:ACTRVOBWPAIOHC-UHFFFAOYSA-N .
csc:CWBIFDGMOSWLRQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:25477 ;
dbo:casNumber "61076-97-9" , "12001-29-5" ;
dbo:formula "H4Mg3O9Si2" ;
dbo:inchi "InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;" ;
dbo:iupacName "trimagnesium hydroxy-trioxidosilane hydrate"@en ;
dbo:pubchem "25477"^^xsd:int ;
dbo:smiles "O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]" ;
dbp:inchikey "InChIKey=CWBIFDGMOSWLRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000921 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chrystl" ;
skos:prefLabel "chrysotiel (witte asbest)"@nl .
csc:KLMCZVJOEAUDNE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328145 ;
dbo:casNumber "7440-73-5" ;
dbo:formula "Fr" ;
dbo:inchi "InChI=1S/Fr" ;
dbo:iupacName "FRANCIUM"@en ;
dbo:pubchem "6328145"^^xsd:int ;
dbo:smiles "[Fr]" ;
dbp:inchikey "InChIKey=KLMCZVJOEAUDNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fr" ;
skos:prefLabel "francium"@nl .
csc:DMSMPAJRVJJAGA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17520 ;
dbo:casNumber "54392-14-2" , "75037-67-1" , "40991-37-5" , "101964-01-6" , "2634-33-5" ;
dbo:formula "C7H5NOS" ;
dbo:inchi "InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)" ;
dbo:iupacName "1,2-benzothiazol-3-one"@en ;
dbo:pubchem "17520"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NS2" ;
dbp:inchikey "InChIKey=DMSMPAJRVJJAGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12benztaz3o" ;
skos:prefLabel "1,2-benzothiazool-3-on"@nl .
csc:CHEMONTID_0002565
skos:narrower csc:WPYMKLBDIGXBTP-UHFFFAOYSA-N , csc:OROAFUQRIXKEMV-LDADJPATSA-N .
csc:CAHQGWAXKLQREW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7411 ;
dbo:casNumber "98-87-3" , "29797-40-8" , "37808-21-2" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H" ;
dbo:iupacName "Dichloromethylbenzene"@en ;
dbo:pubchem "7411"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(Cl)Cl" ;
dbp:inchikey "InChIKey=CAHQGWAXKLQREW-UHFFFAOYSA-N" ;
skos:altLabel "alfa-alfa-dichloortolueen (benzalchloride)"@nl , "alfa-alfa-dichloortolueen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_98-87-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aaDClTol" ;
skos:prefLabel "alfa,alfa-dichloortolueen"@nl ;
vcs:vmmParameterId "770"^^xsd:int .
csc:KWWWFTBWCKTBQI-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41122 ;
dbo:casNumber "54549-72-3" ;
dbo:formula "C11H14O2" ;
dbo:inchi "InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3" ;
dbo:iupacName "1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone"@en ;
dbo:pubchem "41122"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=C(C=C1)C(C)(C)O" ;
dbp:inchikey "InChIKey=KWWWFTBWCKTBQI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "41HOx1C1yC2y" ;
skos:prefLabel "4-(1-hydroxy-1-methylethyl)-acetofenon"@nl .
csc:DECIPOUIJURFOJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3293 ;
dbo:casNumber "63301-91-7" , "91-53-2" , "8047-04-9" , "8047-14-1" ;
dbo:formula "C14H19NO" ;
dbo:inchi "InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3" ;
dbo:iupacName "6-ethoxy-2,2,4-trimethyl-1H-quinoline"@en ;
dbo:pubchem "3293"^^xsd:int ;
dbo:smiles "CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C" ;
dbp:inchikey "InChIKey=DECIPOUIJURFOJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etxcne" ;
skos:prefLabel "ethoxychine"@nl .
csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2347 ;
dbo:casNumber "58128-78-2" , "85-68-7" ;
dbo:formula "C19H20O4" ;
dbo:inchi "InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3" ;
dbo:iupacName "O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "2347"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=IRIAEXORFWYRCZ-UHFFFAOYSA-N" ;
skos:altLabel "butylbenzylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_85-68-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzC4yFt" ;
skos:prefLabel "benzylbutylftalaat"@nl ;
vcs:vmmParameterId "60"^^xsd:int .
csc:JUVIOZPCNVVQFO-HBGVWJBISA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6758 ;
dbo:casNumber "12679-58-2" , "83-79-4" ;
dbo:formula "C23H22O6" ;
dbo:inchi "InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1" ;
dbo:iupacName "(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one"@en ;
dbo:pubchem "6758"^^xsd:int ;
dbo:smiles "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC" ;
dbp:inchikey "InChIKey=JUVIOZPCNVVQFO-HBGVWJBISA-N" ;
skos:broader csc:CHEMONTID_0003528 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rotnn" ;
skos:prefLabel "rotenon"@nl .
csc:LCHYEKKJCUJAKN-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12570 ;
dbo:casNumber "644-35-9" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3" ;
dbo:iupacName "2-Propylphenol"@en ;
dbo:pubchem "12570"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=LCHYEKKJCUJAKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3yFol" ;
skos:prefLabel "2-propylfenol"@nl .
csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 2.5.3 'NO'"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:945 ;
dbo:casNumber "14332-28-6" , "90880-94-7" , "51005-20-0" , "51005-21-1" , "53851-19-7" , "10102-43-9" , "90452-29-2" ;
dbo:formula "HNO" ;
dbo:inchi "InChI=1S/HNO/c1-2/h1H" ;
dbo:iupacName "nitroxyl"@en ;
dbo:pubchem "945"^^xsd:int ;
dbo:smiles "N=O" ;
dbp:inchikey "InChIKey=ODUCDPQEXGNKDN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofmonoxide (NO)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofmonoxide (no)"@nl .
csc:AMQJEAYHLZJPGS-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6276 ;
dbo:casNumber "71-41-0" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "Pentan-1-ol"@en ;
dbo:pubchem "6276"^^xsd:int ;
dbo:smiles "CCCCCO" ;
dbp:inchikey "InChIKey=AMQJEAYHLZJPGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C5ol" ;
skos:prefLabel "pentanol"@nl .
csc:CHEMONTID_0000254
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000254 ;
skos:definition "Compounds bearing an ether group with the formula Compounds ROR (R not H)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000254" ;
skos:prefLabel "Ethers"@en .
csc:QUSNBJAOOMFDIB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6341 ;
dbo:casNumber "43031-21-6" , "85404-22-4" , "75-04-7" , "85404-16-6" ;
dbo:formula "C2H7N" ;
dbo:inchi "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" ;
dbo:iupacName "Ethanamine"@en ;
dbo:pubchem "6341"^^xsd:int ;
dbo:smiles "CCN" ;
dbp:inchikey "InChIKey=QUSNBJAOOMFDIB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yAe" ;
skos:prefLabel "ethylamine"@nl .
csc:CHEMONTID_0002003
skos:narrower csc:UURAUHCOJAIIRQ-QGLSALSOSA-N , csc:LLYYNOVSVPBRGV-NFQTWZMKSA-N .
csc:WYURNTSHIVDZCO-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8028 ;
dbo:casNumber "77392-70-2" , "24979-97-3" , "109-99-9" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2" ;
dbo:iupacName "Oxolane"@en ;
dbo:pubchem "8028"^^xsd:int ;
dbo:smiles "C1CCOC1" ;
dbp:inchikey "InChIKey=WYURNTSHIVDZCO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_008 ;
skos:altLabel "tetrahydrofuraan"@nl ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PTMEG" , "T4Hfrn" ;
skos:prefLabel "polytetramethyletherglycol"@nl .
csc:CGYGETOMCSJHJU-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7056 ;
dbo:casNumber "91-58-7" ;
dbo:formula "C10H7Cl" ;
dbo:inchi "InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H" ;
dbo:iupacName "2-CHLORONAPHTHALENE"@en ;
dbo:pubchem "7056"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)Cl" ;
dbp:inchikey "InChIKey=CGYGETOMCSJHJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClNaf" ;
skos:prefLabel "2-chloornaftaleen"@nl .
csc:BUGBHKTXTAQXES-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'Se'"@nl , "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'"@nl , "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'"@nl ;
rdfs:seeAlso compound:6326970 ;
dbo:casNumber "95788-45-7" , "12641-96-2" , "12733-65-2" , "11133-88-3" , "51882-60-1" , "50954-17-1" , "12640-29-8" , "7782-49-2" , "11125-23-8" , "37276-15-6" , "37368-02-8" , "12640-30-1" , "37256-19-2" , "37258-85-8" , "7783-07-5" ;
dbo:formula "Se" ;
dbo:inchi "InChI=1S/Se" ;
dbo:iupacName "Selenium"@en ;
dbo:pubchem "6326970"^^xsd:int ;
dbo:smiles "[Se]" ;
dbp:inchikey "InChIKey=BUGBHKTXTAQXES-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 , co:WAC_III_B_010 , co:CMA_2_I_B , co:CMA_2_I_B.6 , co:CMA_2_I_B.1 , co:WAC_III_B_012 ;
skos:altLabel "Seleen (Se)"@nl , "seleen (se)"@nl , "seleen, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000434 ;
skos:definition "seleen en seleenverbindingen, uitgedrukt als lood (Pb)"@nl ;
skos:exactMatch wise:CAS_7782-49-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Se" ;
skos:prefLabel "seleen"@nl ;
vcs:vmmParameterId "1966"^^xsd:int , "181"^^xsd:int , "183"^^xsd:int , "182"^^xsd:int .
csc:PNPCRKVUWYDDST-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7932 ;
dbo:casNumber "108-42-9" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2" ;
dbo:iupacName "3-Chloroaniline"@en ;
dbo:pubchem "7932"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)N" ;
dbp:inchikey "InChIKey=PNPCRKVUWYDDST-UHFFFAOYSA-N" ;
skos:altLabel "m-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_108-42-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ClAn" ;
skos:prefLabel "3-chlooraniline"@nl ;
vcs:vmmParameterId "50"^^xsd:int .
csc:CHEMONTID_0001396
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001396 ;
skos:definition "Organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:PFJJMJDEVDLPNE-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001396" ;
skos:prefLabel "Benzoxazines"@en .
csc:CYEJMVLDXAUOPN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:171144 ;
dbo:casNumber "27193-86-8" ;
dbo:formula "C18H30O" ;
dbo:inchi "InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3" ;
dbo:iupacName "2-Dodecylphenol"@en ;
dbo:pubchem "171144"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=CYEJMVLDXAUOPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sC12yFol" ;
skos:prefLabel "som dodecylfenol-isomeren"@nl .
csc:FGLBSLMDCBOPQK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:398 ;
dbo:casNumber "104306-46-9" , "79-46-9" ;
dbo:formula "C3H7NO2" ;
dbo:inchi "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3" ;
dbo:iupacName "['2-nitropropane', 'N-oxido-N-propan-2-ylhydroxylamine', 'N,N-dihydroxypropan-2-amine']"@en ;
dbo:pubchem "398"^^xsd:int ;
dbo:smiles "CC(C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=FGLBSLMDCBOPQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004117 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2C3a" ;
skos:prefLabel "2-nitropropaan"@nl .
csc:MKARNSWMMBGSHX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7949 ;
dbo:casNumber "108-69-0" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "3,5-Dimethylaniline"@en ;
dbo:pubchem "7949"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1)N)C" ;
dbp:inchikey "InChIKey=MKARNSWMMBGSHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yAn" ;
skos:prefLabel "3,5-dimethylaniline"@nl .
csc:QMMFBGBMARGVFC-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:101258 ;
dbo:casNumber "37557-96-3" ;
dbo:formula "C2H4Cl2O2S" ;
dbo:inchi "InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3" ;
dbo:iupacName "dichloromethylsulfonylmethane"@en ;
dbo:pubchem "101258"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C(Cl)Cl" ;
dbp:inchikey "InChIKey=QMMFBGBMARGVFC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClC1ysfnC1a" ;
skos:prefLabel "dichloor(methylsulfonyl)methaan"@nl .
csc:QIMMUPPBPVKWKM-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7055 ;
dbo:casNumber "7419-61-6" , "91-57-6" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" ;
dbo:iupacName "2-Methylnaphthalene"@en ;
dbo:pubchem "7055"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "InChIKey=QIMMUPPBPVKWKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yNaf" ;
skos:prefLabel "2-methylnaftaleen"@nl .
csc:LCFVJGUPQDGYKZ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2286 ;
dbo:casNumber "116161-20-7" , "170962-54-6" , "500008-19-5" , "47424-12-4" , "1675-54-3" , "85101-00-4" ;
dbo:formula "C21H24O4" ;
dbo:inchi "InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3" ;
dbo:iupacName "2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane"@en ;
dbo:pubchem "2286"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4" ;
dbp:inchikey "InChIKey=LCFVJGUPQDGYKZ-UHFFFAOYSA-N" ;
skos:altLabel "bisfenol a diglycidylether"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolADgcdE" ;
skos:prefLabel "bisfenol A diglycidylether"@nl .
csc:UMKANAFDOQQUKE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20848 ;
dbo:casNumber "4726-14-1" ;
dbo:formula "C13H19N3O6S" ;
dbo:inchi "InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3" ;
dbo:iupacName "4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline"@en ;
dbo:pubchem "20848"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UMKANAFDOQQUKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nitln" ;
skos:prefLabel "nitralin"@nl .
csc:LNJNFVJKDJYTEU-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91742 ;
dbo:casNumber "87130-20-9" ;
dbo:formula "C14H21NO4" ;
dbo:inchi "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)" ;
dbo:iupacName "propan-2-yl N-(3,4-diethoxyphenyl)carbamate"@en ;
dbo:pubchem "91742"^^xsd:int ;
dbo:smiles "CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC" ;
dbp:inchikey "InChIKey=LNJNFVJKDJYTEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Detfcb" ;
skos:prefLabel "diethofencarb"@nl .
csc:CHEMONTID_0000716
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000716 ;
skos:definition "Large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:DQVGVYRSVYCJRR-HTLTWAQSSA-N ;
skos:notation "CHEMONTID:0000716" ;
skos:prefLabel "Chlorins"@en .
csc:CHEMONTID_0001460
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001460 ;
skos:definition "Compounds containing a secosteroid backbone, usually secoergostane or secocholestane."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:MECHNRXZTMCUDQ-VLOQVYPSSA-N ;
skos:notation "CHEMONTID:0001460" ;
skos:prefLabel "Vitamin D and derivatives"@en .
csc:CHEMONTID_0004208
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004208 ;
skos:definition "Aromatic compounds that contain a xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004208" ;
skos:prefLabel "Xylenes"@en .
csc:CHEMONTID_0000233
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000233 ;
skos:definition "Organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:RAOIDOHSFRTOEL-UHFFFAOYSA-N , csc:JCVAWLVWQDNEGS-UHFFFAOYSA-N , csc:HXJUTPCZVOIRIF-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000233" ;
skos:prefLabel "Thiolanes"@en .
csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42138 ;
dbo:casNumber "57117-41-6" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H" ;
dbo:iupacName "1,2,3,7,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42138"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SBMIVUVRFPGOEB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,7,8-pentachloordibenzofuraan"@nl , "1,2,3,7,8-pentachloordibenzofuraan (pecdf)"@nl , "1,2,3,7,8-pentachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-41-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF94" ;
skos:prefLabel "1,2,3,7,8-pentachloordibenzofuran"@nl ;
vcs:vmmParameterId "1238"^^xsd:int .
csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:8254 ;
dbo:casNumber "157621-61-9" , "115-10-6" ;
dbo:formula "C2H6O" ;
dbo:inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3" ;
dbo:iupacName "Methoxymethane"@en ;
dbo:pubchem "8254"^^xsd:int ;
dbo:smiles "COC" ;
dbp:inchikey "InChIKey=LCGLNKUTAGEVQW-UHFFFAOYSA-N" ;
skos:altLabel "dimethylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yEtr" ;
skos:prefLabel "dimethylether "@nl .
csc:CHEMONTID_0001858
skos:narrower csc:IDYZIJYBMGIQMJ-UHFFFAOYSA-N .
csc:YQUQWHNMBPIWGK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7465 ;
dbo:casNumber "99-89-8" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3" ;
dbo:iupacName "4-propan-2-ylphenol"@en ;
dbo:pubchem "7465"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=YQUQWHNMBPIWGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4iC3yFol" ;
skos:prefLabel "4-isopropylfenol"@nl .
csc:QIONYIKHPASLHO-UHFFFAOYSA-M
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6414 ;
dbo:casNumber "75-96-7" ;
dbo:formula "C2Br3O2-" ;
dbo:inchi "InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1" ;
dbo:iupacName "2,2,2-tribromoacetate"@en ;
dbo:pubchem "6414"^^xsd:int ;
dbo:smiles "C(=O)(C(Br)(Br)Br)[O-]" ;
dbp:inchikey "InChIKey=QIONYIKHPASLHO-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrHAc" ;
skos:prefLabel "tribroomazijnzuur"@nl .
csc:YPNZJHFXFVLXSE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6898 ;
dbo:casNumber "87-64-9" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3" ;
dbo:iupacName "2-Chloro-6-methylphenol"@en ;
dbo:pubchem "6898"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)O" ;
dbp:inchikey "InChIKey=YPNZJHFXFVLXSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6C1yFol" ;
skos:prefLabel "2-chloor-6-methylfenol"@nl .
csc:GEYOCULIXLDCMW-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7243 ;
dbo:casNumber "95-54-5" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,2-diamine"@en ;
dbo:pubchem "7243"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)N" ;
dbp:inchikey "InChIKey=GEYOCULIXLDCMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DAoBen" ;
skos:prefLabel "1,2-diaminobenzeen"@nl .
csc:DOLQYFPDPKPQSS-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7248 ;
dbo:casNumber "95-64-7" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3" ;
dbo:iupacName "3,4-Dimethylaniline"@en ;
dbo:pubchem "7248"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)C" ;
dbp:inchikey "InChIKey=DOLQYFPDPKPQSS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yAn" ;
skos:prefLabel "3,4-dimethylaniline"@nl .
csc:FFSSWMQPCJRCRV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91739 ;
dbo:casNumber "113875-40-4" , "84087-01-4" ;
dbo:formula "C10H5Cl2NO2" ;
dbo:inchi "InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)" ;
dbo:iupacName "3,7-Dichloroquinoline-8-carboxylic acid"@en ;
dbo:pubchem "91739"^^xsd:int ;
dbo:smiles "C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl" ;
dbp:inchikey "InChIKey=FFSSWMQPCJRCRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quincrc" ;
skos:prefLabel "quinclorac"@nl .
csc:CHEMONTID_0004749
skos:narrower csc:XKJCHHZQLQNZHY-UHFFFAOYSA-N , csc:MUMQYXACQUZOFP-UHFFFAOYSA-N , csc:MTBZIGHNGSTDJV-UHFFFAOYSA-N , csc:LMNZTLDVJIUSHT-UHFFFAOYSA-N , csc:HKIOYBQGHSTUDB-UHFFFAOYSA-N , csc:BEMXOWRVWRNPPL-UHFFFAOYSA-N .
csc:ZAFYATHCZYHLPB-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5732 ;
dbo:casNumber "82626-48-0" ;
dbo:formula "C19H21N3O" ;
dbo:inchi "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" ;
dbo:iupacName "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide"@en ;
dbo:pubchem "5732"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C" ;
dbp:inchikey "InChIKey=ZAFYATHCZYHLPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002327 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "zolpdm" ;
skos:prefLabel "zolpidem"@nl .
csc:CHEMONTID_0000291
skos:narrower csc:WEXRUCMBJFQVBZ-UHFFFAOYSA-N , csc:VIROVYVQCGLCII-UHFFFAOYSA-N , csc:GUVUOGQBMYCBQP-UHFFFAOYSA-N .
csc:HNXNKTMIVROLTK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26690 ;
dbo:casNumber "14433-76-2" ;
dbo:formula "C12H25NO" ;
dbo:inchi "InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3" ;
dbo:iupacName "N,N-Dimethyldecanamide"@en ;
dbo:pubchem "26690"^^xsd:int ;
dbo:smiles "CCCCCCCCCC(=O)N(C)C" ;
dbp:inchikey "InChIKey=HNXNKTMIVROLTK-UHFFFAOYSA-N" ;
skos:altLabel "N,N-dimethyldecanamide"@nl ;
skos:broader csc:CHEMONTID_0001096 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1yC10aAd" ;
skos:prefLabel "n,n-dimethyldecanamide"@nl .
csc:LTUNNEGNEKBSEH-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91751 ;
dbo:casNumber "94125-34-5" ;
dbo:formula "C15H16F3N5O4S" ;
dbo:inchi "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)" ;
dbo:iupacName "3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea"@en ;
dbo:pubchem "91751"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F" ;
dbp:inchikey "InChIKey=LTUNNEGNEKBSEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prosfrn" ;
skos:prefLabel "prosulfuron"@nl .
csc:GZCRRIHWUXGPOV-OUBTZVSYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161008 ;
dbo:casNumber "13981-29-8" ;
dbo:formula "Tb" ;
dbo:inchi "InChI=1S/Tb/i1+1" ;
dbo:iupacName "terbium-160"@en ;
dbo:pubchem "161008"^^xsd:int ;
dbo:smiles "[Tb]" ;
dbp:inchikey "InChIKey=GZCRRIHWUXGPOV-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tb160" ;
skos:prefLabel "terbium 160"@nl .
csc:RFCAUADVODFSLZ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6430 ;
dbo:casNumber "12770-91-1" , "76-15-3" ;
dbo:formula "C2ClF5" ;
dbo:inchi "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8" ;
dbo:iupacName "1-Chloro-1,1,2,2,2-pentafluoroethane"@en ;
dbo:pubchem "6430"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)(F)F" ;
dbp:inchikey "InChIKey=RFCAUADVODFSLZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK115" ;
skos:prefLabel "monochloorpentafluorethaan"@nl .
csc:NJIZUWGMNCUKGU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:64952 ;
dbo:casNumber "127-74-2" , "5572-57-6" ;
dbo:formula "C12H12N4O3S" ;
dbo:inchi "InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)" ;
dbo:iupacName "N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide"@en ;
dbo:pubchem "64952"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2" ;
dbp:inchikey "InChIKey=NJIZUWGMNCUKGU-UHFFFAOYSA-N" ;
skos:altLabel "N(4)-acetylsulfadiazine"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N4actsfdazne" ;
skos:prefLabel "n(4)-acetylsulfadiazine"@nl .
csc:XJCLWVXTCRQIDI-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7216 ;
dbo:casNumber "95-06-7" ;
dbo:formula "C8H14ClNS2" ;
dbo:inchi "InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3" ;
dbo:iupacName "2-chloroprop-2-enyl diethylaminomethanedithioate"@en ;
dbo:pubchem "7216"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SCC(=C)Cl" ;
dbp:inchikey "InChIKey=XJCLWVXTCRQIDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003936 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfalt" ;
skos:prefLabel "sulfallaat"@nl .
csc:WYWIFABBXFUGLM-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4636 ;
dbo:casNumber "1491-59-4" ;
dbo:formula "C16H24N2O" ;
dbo:inchi "InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)" ;
dbo:iupacName "6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol"@en ;
dbo:pubchem "4636"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=WYWIFABBXFUGLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxmtzlne" ;
skos:prefLabel "oxymetazoline"@nl .
csc:KNKRKFALVUDBJE-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6564 ;
dbo:casNumber "68390-96-5" , "78-87-5" , "26198-63-0" ;
dbo:formula "C3H6Cl2" ;
dbo:inchi "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3" ;
dbo:iupacName "1,2-Dichloropropane"@en ;
dbo:pubchem "6564"^^xsd:int ;
dbo:smiles "CC(CCl)Cl" ;
dbp:inchikey "InChIKey=KNKRKFALVUDBJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_78-87-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC3a" ;
skos:prefLabel "1,2-dichloorpropaan"@nl ;
vcs:vmmParameterId "321"^^xsd:int .
csc:QPLDLSVMHZLSFG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14829 ;
dbo:casNumber "185461-92-1" , "1317-38-0" ;
dbo:formula "CuO" ;
dbo:inchi "InChI=1S/Cu.O" ;
dbo:iupacName "oxocopper"@en ;
dbo:pubchem "14829"^^xsd:int ;
dbo:smiles "O=[Cu]" ;
dbp:inchikey "InChIKey=QPLDLSVMHZLSFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CuO" ;
skos:prefLabel "koperoxide"@nl .
csc:MEBQXILRKZHVCX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13709 ;
dbo:casNumber "950-37-8" ;
dbo:formula "C6H11N2O4PS3" ;
dbo:inchi "InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3" ;
dbo:iupacName "3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one"@en ;
dbo:pubchem "13709"^^xsd:int ;
dbo:smiles "COC1=NN(C(=O)S1)CSP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=MEBQXILRKZHVCX-UHFFFAOYSA-N" ;
skos:altLabel "methidathion"@nl ;
skos:broader csc:CHEMONTID_0004770 ;
skos:exactMatch wise:CAS_950-37-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metdton" ;
skos:prefLabel "methidation"@nl ;
vcs:vmmParameterId "677"^^xsd:int .
csc:ZSLUVFAKFWKJRC-YPZZEJLDSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61723 ;
dbo:casNumber "14269-63-7" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-2" ;
dbo:iupacName "thorium-230"@en ;
dbo:pubchem "61723"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th230" ;
skos:prefLabel "thorium 230"@nl .
csc:CHEMONTID_0002581
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002581 ;
skos:definition "Neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:KXYDGGNWZUHESZ-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002581" ;
skos:prefLabel "Neoflavans"@en .
csc:DNJIEGIFACGWOD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6343 ;
dbo:casNumber "811-51-8" , "75-08-1" ;
dbo:formula "C2H6S" ;
dbo:inchi "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3" ;
dbo:iupacName "Ethanethiol"@en ;
dbo:pubchem "6343"^^xsd:int ;
dbo:smiles "CCS" ;
dbp:inchikey "InChIKey=DNJIEGIFACGWOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2atol" ;
skos:prefLabel "ethaanthiol"@nl .
csc:CHEMONTID_0002496
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002496 ;
skos:definition "Heterocyclic compounds containing a 2,3-dihydro-1H-iso-indole moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002496" ;
skos:prefLabel "Isoindolines"@en .
csc:CHEMONTID_0003097
skos:narrower csc:YVPYQUNUQOZFHG-UHFFFAOYSA-N , csc:WZHHYIOUKQNLQM-UHFFFAOYSA-N .
csc:XNLICIUVMPYHGG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7895 ;
dbo:casNumber "107-87-9" , "27154-67-2" ;
dbo:formula "C5H10O" ;
dbo:inchi "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3" ;
dbo:iupacName "Pentan-2-one"@en ;
dbo:pubchem "7895"^^xsd:int ;
dbo:smiles "CCCC(=O)C" ;
dbp:inchikey "InChIKey=XNLICIUVMPYHGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C5on" ;
skos:prefLabel "2-pentanon"@nl .
csc:POOSGDOYLQNASK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12592 ;
dbo:casNumber "646-31-1" ;
dbo:formula "C24H50" ;
dbo:inchi "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3" ;
dbo:iupacName "Tetracosane"@en ;
dbo:pubchem "12592"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=POOSGDOYLQNASK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C24a" ;
skos:prefLabel "tetracosaan"@nl .
csc:KKOYBOFPUBHPFO-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25355 ;
dbo:casNumber "10548-10-4" ;
dbo:formula "C9H21O3PS3" ;
dbo:inchi "InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "25355"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)C(C)(C)C" ;
dbp:inchikey "InChIKey=KKOYBOFPUBHPFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfSO" ;
skos:prefLabel "terbufos-sulfoxide"@nl .
csc:JEEQUUSFXYRPRK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:85927 ;
dbo:casNumber "15869-94-0" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3" ;
dbo:iupacName "3,6-Dimethyloctane"@en ;
dbo:pubchem "85927"^^xsd:int ;
dbo:smiles "CCC(C)CCC(C)CC" ;
dbp:inchikey "InChIKey=JEEQUUSFXYRPRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "36DC1yC8a" ;
skos:prefLabel "3,6-dimethyloctaan"@nl .
csc:XCSGHNKDXGYELG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7713 ;
dbo:casNumber "104-66-5" ;
dbo:formula "C14H14O2" ;
dbo:inchi "InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2" ;
dbo:iupacName "2-(phenoxy)ethoxybenzene"@en ;
dbo:pubchem "7713"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OCCOC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=XCSGHNKDXGYELG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DfenOxC2a" ;
skos:prefLabel "1,2-difenoxyethaan"@nl .
csc:PLDUPXSUYLZYBN-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3372 ;
dbo:casNumber "47646-09-3" , "69-23-8" ;
dbo:formula "C22H26F3N3OS" ;
dbo:inchi "InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2" ;
dbo:iupacName "2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "3372"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO" ;
dbp:inchikey "InChIKey=PLDUPXSUYLZYBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnzne" ;
skos:prefLabel "flufenazine"@nl .
csc:ZZUFCTLCJUWOSV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3440 ;
dbo:casNumber "54-31-9" ;
dbo:formula "C12H11ClN2O5S" ;
dbo:inchi "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)" ;
dbo:iupacName "4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid"@en ;
dbo:pubchem "3440"^^xsd:int ;
dbo:smiles "C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl" ;
dbp:inchikey "InChIKey=ZZUFCTLCJUWOSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fursmde" ;
skos:prefLabel "furosemide"@nl .
csc:UXADOQPNKNTIHB-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73670 ;
dbo:casNumber "74115-24-5" , "88025-82-5" ;
dbo:formula "C14H8Cl2N4" ;
dbo:inchi "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H" ;
dbo:iupacName "3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine"@en ;
dbo:pubchem "73670"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl" ;
dbp:inchikey "InChIKey=UXADOQPNKNTIHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chloftzn" ;
skos:prefLabel "chlofentezin"@nl .
csc:CHEMONTID_0000270
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000270 ;
skos:definition "Compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WQNQTJSLPDZSDK-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000270" ;
skos:prefLabel "Organosulfonic acids and derivatives"@en .
csc:IUJDSEJGGMCXSG-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1244 ;
dbo:casNumber "59709-53-4" , "76-75-5" ;
dbo:formula "C11H18N2O2S" ;
dbo:inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione"@en ;
dbo:pubchem "1244"^^xsd:int ;
dbo:smiles "CCCC(C)C1(C(=O)NC(=NC1=O)S)CC" ;
dbp:inchikey "InChIKey=IUJDSEJGGMCXSG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001122 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toptl" ;
skos:prefLabel "thiopental"@nl .
csc:TTZLKXKJIMOHHG-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13762 ;
dbo:casNumber "965-32-2" , "63449-41-2" ;
dbo:formula "C19H34ClN" ;
dbo:inchi "InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-decyl-dimethylazanium chloride"@en ;
dbo:pubchem "13762"^^xsd:int ;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=TTZLKXKJIMOHHG-UHFFFAOYSA-M" ;
skos:altLabel "C8-C18-alkylbenzyldimethylammoniumchloride"@nl , "benzyldimethyldecylammoniumchloride"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8C18akbzDC1" , "benzDC1yC10y" ;
skos:prefLabel "c8-c18-alkylbenzyldimethylammoniumchloride"@nl .
csc:MHAJPDPJQMAIIY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:784 ;
dbo:casNumber "218625-72-0" , "66554-50-5" , "8007-30-5" , "37355-84-3" , "7722-84-1" ;
dbo:formula "H2O2" ;
dbo:inchi "InChI=1S/H2O2/c1-2/h1-2H" ;
dbo:iupacName "hydrogen peroxide"@en ;
dbo:pubchem "784"^^xsd:int ;
dbo:smiles "OO" ;
dbp:inchikey "InChIKey=MHAJPDPJQMAIIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H2O2" ;
skos:prefLabel "waterstofperoxide"@nl .
csc:XDOTVMNBCQVZKG-MKICQXMISA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9601227 ;
dbo:casNumber "78876-59-2" , "72424-66-9" , "65154-62-3" , "59669-26-0" ;
dbo:formula "C10H18N4O4S3" ;
dbo:inchi "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+" ;
dbo:iupacName "(1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate"@en ;
dbo:pubchem "9601227"^^xsd:int ;
dbo:smiles "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC" ;
dbp:inchikey "InChIKey=XDOTVMNBCQVZKG-MKICQXMISA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "toDcb" ;
skos:prefLabel "thiodicarb"@nl .
csc:FEVBMCJUKWWWBT-BNIOFCGNSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6442256 ;
dbo:casNumber "154037-70-4" ;
dbo:formula "C52H71N7O12" ;
dbo:inchi "InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+" ;
dbo:iupacName "18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6442256"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C" ;
dbp:inchikey "InChIKey=FEVBMCJUKWWWBT-BNIOFCGNSA-N" ;
skos:altLabel "microcystine-LF"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LF" ;
skos:prefLabel "microcystine-lf"@nl .
csc:CSWIKHNSBZVWNQ-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6450826 ;
dbo:casNumber "106700-29-2" ;
dbo:formula "C16H22ClNO2" ;
dbo:inchi "InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3" ;
dbo:iupacName "2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide"@en ;
dbo:pubchem "6450826"^^xsd:int ;
dbo:smiles "CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=CSWIKHNSBZVWNQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "petoamd" ;
skos:prefLabel "pethoxamid"@nl .
csc:FSAVDKDHPDSCTO-XYOKQWHBSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5377791 ;
dbo:casNumber "18708-86-6" ;
dbo:formula "C12H14Cl3O4P" ;
dbo:inchi "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+" ;
dbo:iupacName "[(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate"@en ;
dbo:pubchem "5377791"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=FSAVDKDHPDSCTO-XYOKQWHBSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bClfvfs" ;
skos:prefLabel "beta-chloorfenvinfos"@nl .
csc:GWLLTEXUIOFAFE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32241 ;
dbo:casNumber "24157-81-1" ;
dbo:formula "C16H20" ;
dbo:inchi "InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3" ;
dbo:iupacName "2,6-di(propan-2-yl)naphthalene"@en ;
dbo:pubchem "32241"^^xsd:int ;
dbo:smiles "CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C" ;
dbp:inchikey "InChIKey=GWLLTEXUIOFAFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DiC3yNaf" ;
skos:prefLabel "2,6-diisopropylnaftaleen"@nl .
csc:CHEMONTID_0000185
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000185 ;
skos:definition "Compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:XXBDWLFCJWSEKW-UHFFFAOYSA-N , csc:BWLUMTFWVZZZND-UHFFFAOYSA-N , csc:MXHTZQSKTCCMFG-UHFFFAOYSA-N , csc:WYZDCUGWXKHESN-UHFFFAOYSA-N , csc:WGQKYBSKWIADBV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000185" ;
skos:prefLabel "Phenylmethylamines"@en .
csc:CHEMONTID_0001816
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001816 ;
skos:definition "Organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001816" ;
skos:prefLabel "Furofurans"@en .
csc:ZJMWRROPUADPEA-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8680 ;
dbo:casNumber "5787-28-0" , "68411-44-9" , "36383-15-0" , "135-98-8" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3" ;
dbo:iupacName "butan-2-ylbenzene"@en ;
dbo:pubchem "8680"^^xsd:int ;
dbo:smiles "CCC(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=ZJMWRROPUADPEA-UHFFFAOYSA-N" ;
skos:altLabel "sec-butylbenzeen"@nl , "butylbenzeen (vertakt en lineair)"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_135-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "secC4yBen" , "sC4yBen" ;
skos:prefLabel "secundair-butylbenzeen"@nl ;
vcs:vmmParameterId "549"^^xsd:int .
csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2764 ;
dbo:casNumber "85721-33-1" ;
dbo:formula "C17H18FN3O3" ;
dbo:inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" ;
dbo:iupacName "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"@en ;
dbo:pubchem "2764"^^xsd:int ;
dbo:smiles "C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O" ;
dbp:inchikey "InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:exactMatch wise:CAS_85721-33-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cipfxcne" ;
skos:prefLabel "ciprofloxacine"@nl ;
vcs:vmmParameterId "1854"^^xsd:int .
csc:VHUUQVKOLVNVRT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14923 ;
dbo:casNumber "132103-60-7" , "125888-87-1" , "1336-21-6" , "16393-49-0" ;
dbo:formula "H5NO" ;
dbo:inchi "InChI=1S/H3N.H2O/h1H3;1H2" ;
dbo:iupacName "azanium hydroxide"@en ;
dbo:pubchem "14923"^^xsd:int ;
dbo:smiles "[NH4+].[OH-]" ;
dbp:inchikey "InChIKey=VHUUQVKOLVNVRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001055 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4OH" ;
skos:prefLabel "ammoniumhydroxide"@nl .
csc:JTEDVYBZBROSJT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8617 ;
dbo:casNumber "65216-51-5" , "111150-79-9" , "133-32-4" ;
dbo:formula "C12H13NO2" ;
dbo:inchi "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)" ;
dbo:iupacName "4-(1H-indol-3-yl)butanoic acid"@en ;
dbo:pubchem "8617"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O" ;
dbp:inchikey "InChIKey=JTEDVYBZBROSJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004196 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indlbtzr" ;
skos:prefLabel "indolylboterzuur"@nl .
csc:CHEMONTID_0000106
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000106 ;
skos:definition "Compounds containing an oxathiolane moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, a sulfur atom, and three carbon atoms. Isomers of oxaphospholane include meta-oxathiolane, and ortho-oxathiolane."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0000106" ;
skos:prefLabel "Oxathiolanes"@en .
csc:LMVPQMGRYSRMIW-KRWDZBQOSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10403199 ;
dbo:casNumber "161326-34-7" ;
dbo:formula "C17H17N3OS" ;
dbo:inchi "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1" ;
dbo:iupacName "(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one"@en ;
dbo:pubchem "10403199"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=LMVPQMGRYSRMIW-KRWDZBQOSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmdn" ;
skos:prefLabel "fenamidon"@nl .
csc:CHEMONTID_0004707
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004707 ;
skos:definition "Organic compounds containing a nitrogen atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004707" ;
skos:prefLabel "Organic nitrogen compounds"@en .
csc:CHEMONTID_0001248
skos:narrower csc:WXTMDXOMEHJXQO-UHFFFAOYSA-N .
csc:SMDHCQAYESWHAE-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2319 ;
dbo:casNumber "1861-40-1" ;
dbo:formula "C13H16F3N3O4" ;
dbo:inchi "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3" ;
dbo:iupacName "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "2319"^^xsd:int ;
dbo:smiles "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SMDHCQAYESWHAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_1861-40-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benfn" ;
skos:prefLabel "benefin"@nl ;
vcs:vmmParameterId "1477"^^xsd:int .
csc:GUMCAKKKNKYFEB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12487 ;
dbo:casNumber "636-30-6" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2" ;
dbo:iupacName "2,4,5-Trichloroaniline"@en ;
dbo:pubchem "12487"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)N" ;
dbp:inchikey "InChIKey=GUMCAKKKNKYFEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TClAn" ;
skos:prefLabel "2,4,5-trichlooraniline"@nl .
csc:OSUHJPCHFDQAIT-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:53518 ;
dbo:casNumber "76578-14-8" , "89468-49-5" ;
dbo:formula "C19H17ClN2O4" ;
dbo:inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3" ;
dbo:iupacName "ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en ;
dbo:pubchem "53518"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "InChIKey=OSUHJPCHFDQAIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfC2y" ;
skos:prefLabel "quizalofop-ethyl"@nl .
csc:IPRJXAGUEGOFGG-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19241 ;
dbo:casNumber "3622-84-2" ;
dbo:formula "C10H15NO2S" ;
dbo:inchi "InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3" ;
dbo:iupacName "N-BUTYLBENZENESULFONAMIDE"@en ;
dbo:pubchem "19241"^^xsd:int ;
dbo:smiles "CCCCNS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=IPRJXAGUEGOFGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBensfAd" ;
skos:prefLabel "butylbenzeensulfonamide"@nl .
csc:IJFPVINAQGWBRJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33934 ;
dbo:casNumber "41375-90-0" , "25103-50-8" , "27554-26-3" , "1330-91-2" , "71097-28-4" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3" ;
dbo:iupacName "bis(6-methylheptyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "33934"^^xsd:int ;
dbo:smiles "CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C" ;
dbp:inchikey "InChIKey=IJFPVINAQGWBRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC8yFt" ;
skos:prefLabel "di-isooctylftalaat"@nl .
csc:DYQBMRZOOXYHIM-NCKOGSTASA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5282243 ;
dbo:casNumber "64-75-5" ;
dbo:formula "C22H25ClN2O8" ;
dbo:inchi "InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;1H/b20-14-;/t9-,10-,15-,21+,22-;/m0./s1" ;
dbo:iupacName "(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en ;
dbo:pubchem "5282243"^^xsd:int ;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl" ;
dbp:inchikey "InChIKey=DYQBMRZOOXYHIM-NCKOGSTASA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4cycnHCl" ;
skos:prefLabel "tetracycline hydrochloride"@nl .
csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:95170 ;
dbo:casNumber "5436-43-1" ;
dbo:formula "C12H6Br4O" ;
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H" ;
dbo:iupacName "2,4-dibromo-1-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "95170"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br" ;
dbp:inchikey "InChIKey=XYBSIYMGXVUVGY-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4'-tetrabroomdifenylether"@nl , "bde 47"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_5436-43-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE47" ;
skos:prefLabel "2,2',4,4'-tetrabroomdifenylether (bde47)"@nl ;
vcs:vmmParameterId "930"^^xsd:int .
csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4130 ;
dbo:casNumber "63653-66-7" , "298-00-0" , "37359-35-6" ;
dbo:formula "C8H10NO5PS" ;
dbo:inchi "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3" ;
dbo:iupacName "dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "4130"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RLBIQVVOMOPOHC-UHFFFAOYSA-N" ;
skos:altLabel "methylparathion"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_298-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yprton" ;
skos:prefLabel "parathion-methyl"@nl ;
vcs:vmmParameterId "508"^^xsd:int .
csc:KLMCZVJOEAUDNE-IGMARMGPSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6337087 ;
dbo:casNumber "15756-98-6" ;
dbo:formula "Fr" ;
dbo:inchi "InChI=1S/Fr/i1+0" ;
dbo:iupacName "francium-223"@en ;
dbo:pubchem "6337087"^^xsd:int ;
dbo:smiles "[Fr]" ;
dbp:inchikey "InChIKey=KLMCZVJOEAUDNE-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fr223" ;
skos:prefLabel "francium 223"@nl .
csc:BDOSMKKIYDKNTQ-OIOBTWANSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104782 ;
dbo:casNumber "14109-32-1" ;
dbo:formula "Cd" ;
dbo:inchi "InChI=1S/Cd/i1-3" ;
dbo:iupacName "cadmium-109"@en ;
dbo:pubchem "104782"^^xsd:int ;
dbo:smiles "[Cd]" ;
dbp:inchikey "InChIKey=BDOSMKKIYDKNTQ-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cd109" ;
skos:prefLabel "cadmium 109"@nl .
csc:LFNLGNPSGWYGGD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23933 ;
dbo:casNumber "7439-99-8" , "22541-66-8" , "22537-61-7" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np" ;
dbo:iupacName "NEPTUNIUM"@en ;
dbo:pubchem "23933"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "InChIKey=LFNLGNPSGWYGGD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np" ;
skos:prefLabel "neptunium"@nl .
csc:OYEHPCDNVJXUIW-AHCXROLUSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104728 ;
dbo:casNumber "14119-33-6" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-4" ;
dbo:iupacName "plutonium-240"@en ;
dbo:pubchem "104728"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu240" ;
skos:prefLabel "plutonium 240"@nl .
csc:CHEMONTID_0000079
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000079 ;
skos:definition "Organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SBYAVOHNDJTVPA-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000079" ;
skos:prefLabel "Imidazolines"@en .
csc:NUKZAGXMHTUAFE-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7824 ;
dbo:casNumber "106-70-7" ;
dbo:formula "C7H14O2" ;
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3" ;
dbo:iupacName "Methyl hexanoate"@en ;
dbo:pubchem "7824"^^xsd:int ;
dbo:smiles "CCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=NUKZAGXMHTUAFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC6yat" ;
skos:prefLabel "methylhexylaat"@nl .
csc:KUCPUSUXIGWHFB-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:70535 ;
dbo:casNumber "1011-95-6" , "6381-06-2" ;
dbo:formula "C12H10Sn" ;
dbo:inchi "InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;" ;
dbo:iupacName "di(phenyl)tin"@en ;
dbo:pubchem "70535"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Sn]C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=KUCPUSUXIGWHFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "difenyltin"@nl .
csc:YKAVHPRGGAUFDN-JTQLBUQXSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:83949 ;
dbo:casNumber "23893-13-2" ;
dbo:formula "C37H65NO12" ;
dbo:inchi "InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1" ;
dbo:iupacName "(1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one"@en ;
dbo:pubchem "83949"^^xsd:int ;
dbo:smiles "CCC1C2(C(C(C3(O2)C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)O)C" ;
dbp:inchikey "InChIKey=YKAVHPRGGAUFDN-JTQLBUQXSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "anHertmcne" ;
skos:prefLabel "anhydro-erythromycine"@nl .
csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7463 ;
dbo:casNumber "4939-75-7" , "99-87-6" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3" ;
dbo:iupacName "1-methyl-4-propan-2-ylbenzene"@en ;
dbo:pubchem "7463"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)C(C)C" ;
dbp:inchikey "InChIKey=HFPZCAJZSCWRBC-UHFFFAOYSA-N" ;
skos:altLabel "para-isopropyltolueen"@nl , "p-isopropyltolueen"@nl ;
skos:broader csc:CHEMONTID_0000051 ;
skos:exactMatch wise:CAS_99-87-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1iC3y4C1yBen" ;
skos:prefLabel "1-isopropyl-4-methyl-benzeen"@nl ;
vcs:vmmParameterId "662"^^xsd:int .
csc:CHEMONTID_0004203
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004203 ;
skos:definition "Aromatic compounds containing a methyl-3-methoxyacrylate moiety that carries a benzyl group at the C-alpha carbon."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:WFDXOXNFNRHQEC-GHRIWEEISA-N , csc:MXWAGQASUDSFBG-RVDMUPIBSA-N ;
skos:notation "CHEMONTID:0004203" ;
skos:prefLabel "Phenyl-beta-methoxyacrylates"@en .
csc:IISBACLAFKSPIT-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6623 ;
dbo:casNumber "80-05-7" , "28106-82-3" , "27100-33-0" , "137885-53-1" , "27360-89-0" , "37808-08-5" ;
dbo:formula "C15H16O2" ;
dbo:inchi "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3" ;
dbo:iupacName "4-[2-(4-hydroxyphenyl)propan-2-yl]phenol"@en ;
dbo:pubchem "6623"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O" ;
dbp:inchikey "InChIKey=IISBACLAFKSPIT-UHFFFAOYSA-N" ;
skos:altLabel "bisfenol a"@nl , "bisfenol-a"@nl ;
skos:broader csc:CHEMONTID_0000143 ;
skos:exactMatch wise:CAS_80-05-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolA" ;
skos:prefLabel "bisfenol-A"@nl ;
vcs:vmmParameterId "900"^^xsd:int .
csc:CHEMONTID_0001370
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001370 ;
skos:definition "Organic compounds containing a metalloid atom."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001370" ;
skos:prefLabel "Organometalloid compounds"@en .
csc:CHEMONTID_0001853
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001853 ;
skos:definition "Compounds containing a six-member aliphatic saturated heterocycle made up of three oxygen atoms and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SQYNKIJPMDEDEG-UHFFFAOYSA-N , csc:BGJSXRVXTHVRSN-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001853" ;
skos:prefLabel "Trioxanes"@en .
csc:FZXISNSWEXTPMF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22206 ;
dbo:casNumber "5915-41-3" , "63026-57-3" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "22206"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C" ;
dbp:inchikey "InChIKey=FZXISNSWEXTPMF-UHFFFAOYSA-N" ;
skos:altLabel "terbuthylazine"@nl ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_5915-41-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terC4yazne" ;
skos:prefLabel "terbutylazine"@nl ;
vcs:vmmParameterId "281"^^xsd:int .
csc:ZMXIYERNXPIYFR-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14315 ;
dbo:casNumber "27138-19-8" , "1127-76-0" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3" ;
dbo:iupacName "1-Ethylnaphthalene"@en ;
dbo:pubchem "14315"^^xsd:int ;
dbo:smiles "CCC1=CC=CC2=CC=CC=C21" ;
dbp:inchikey "InChIKey=ZMXIYERNXPIYFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yNaf" ;
skos:prefLabel "1-ethylnaftaleen"@nl .
csc:XRHVZWWRFMCBAZ-UHFFFAOYSA-L
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8519 ;
dbo:casNumber "129-67-9" , "145-73-3" , "11096-76-7" ;
dbo:formula "C8H8Na2O5" ;
dbo:inchi "InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate"@en ;
dbo:pubchem "8519"^^xsd:int ;
dbo:smiles "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=XRHVZWWRFMCBAZ-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endtl" ;
skos:prefLabel "endothal"@nl .
csc:UZUFPBIDKMEQEQ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67821 ;
dbo:casNumber "375-95-1" ;
dbo:formula "C9HF17O2" ;
dbo:inchi "InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid"@en ;
dbo:pubchem "67821"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=UZUFPBIDKMEQEQ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-nonaanzuur"@nl , "perfluor-n-nonaanzuur (pfna)"@nl , "perfluornonaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003958 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFNA" ;
skos:prefLabel "perfluornonaanzuur (pfna)"@nl .
csc:ISXSCDLOGDJUNJ-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15458 ;
dbo:casNumber "782475-36-9" , "1663-39-4" ;
dbo:formula "C7H12O2" ;
dbo:inchi "InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3" ;
dbo:iupacName "tert-butyl prop-2-enoate"@en ;
dbo:pubchem "15458"^^xsd:int ;
dbo:smiles "CC(C)(C)OC(=O)C=C" ;
dbp:inchikey "InChIKey=ISXSCDLOGDJUNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yaclt" ;
skos:prefLabel "tertiair-butylacrylaat"@nl .
csc:YNWVFADWVLCOPU-MDWZMJQESA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436604 ;
dbo:casNumber "83657-22-1" , "76714-83-5" ;
dbo:formula "C15H18ClN3O" ;
dbo:inchi "InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+" ;
dbo:iupacName "(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol"@en ;
dbo:pubchem "6436604"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=YNWVFADWVLCOPU-MDWZMJQESA-N" ;
skos:broader csc:CHEMONTID_0002754 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "uncnzl" ;
skos:prefLabel "uniconazool"@nl .
csc:UREBDLICKHMUKA-CXSFZGCWSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5743 ;
dbo:casNumber "137098-19-2" , "8054-59-9" , "50-02-2" , "23495-06-9" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "5743"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C" ;
dbp:inchikey "InChIKey=UREBDLICKHMUKA-CXSFZGCWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dexmtsn" ;
skos:prefLabel "dexamethason"@nl .
csc:RWSOTUBLDIXVET-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3) 'zwavelwaterstof'"@nl , "VLAREM II bijlage 4.4.2 'zwavelwaterstof'"@nl , "VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'"@nl , "VLAR II Art. 5.28.3.5.1 'H2S'"@nl , "VLAR II Art. 5.7.14.1"@nl ;
rdfs:seeAlso compound:402 ;
dbo:casNumber "12767-24-7" , "57035-13-9" , "7704-34-9" , "13465-07-1" , "7783-06-4" , "63705-05-5" , "56449-52-6" , "81032-32-8" , "12673-82-4" , "8050-82-6" , "56645-30-8" , "11144-15-3" , "56591-09-4" , "12684-31-0" ;
dbo:formula "H2S" ;
dbo:inchi "InChI=1S/H2S/h1H2" ;
dbo:iupacName "hydrogen sulfide"@en ;
dbo:pubchem "402"^^xsd:int ;
dbo:smiles "S" ;
dbp:inchikey "InChIKey=RWSOTUBLDIXVET-UHFFFAOYSA-N" ;
skos:altLabel "octylzwavel"@nl , "waterstofsulfide (H2S)"@nl ;
skos:broader csc:CHEMONTID_0000555 ;
skos:exactMatch wise:CAS_7783-06-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "S8" , "H2S" ;
skos:prefLabel "waterstofsulfide"@nl ;
vcs:vmmParameterId "1156"^^xsd:int .
csc:MGNCLNQXLYJVJD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7954 ;
dbo:casNumber "108-77-0" , "190086-22-7" ;
dbo:formula "C3Cl3N3" ;
dbo:inchi "InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1" ;
dbo:iupacName "2,4,6-Trichloro-1,3,5-triazine"@en ;
dbo:pubchem "7954"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MGNCLNQXLYJVJD-UHFFFAOYSA-N" ;
skos:altLabel "cyanuurzuurchloride"@nl ;
skos:broader csc:CHEMONTID_0004721 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNuzCl" ;
skos:prefLabel "2,4,6-trichloor-1,3,5-triazine"@nl .
csc:CHEMONTID_0000143
skos:narrower csc:VEORPZCZECFIRK-UHFFFAOYSA-N , csc:IISBACLAFKSPIT-UHFFFAOYSA-N .
csc:PQKBPHSEKWERTG-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47938 ;
dbo:casNumber "82110-72-3" , "87714-45-2" , "66441-23-4" ;
dbo:formula "C18H16ClNO5" ;
dbo:inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3" ;
dbo:iupacName "ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate"@en ;
dbo:pubchem "47938"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=PQKBPHSEKWERTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenOapC2y" ;
skos:prefLabel "fenoxaprop-ethyl"@nl .
csc:CHEMONTID_0002995
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002995 ;
skos:definition "Carboxylic acids containing exactly five carboxyl groups."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:QPCDCPDFJACHGM-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002995" ;
skos:prefLabel "Pentacarboxylic acids and derivatives"@en .
csc:ZMWGIGHRZQTQRE-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16002 ;
dbo:casNumber "1929-73-3" ;
dbo:formula "C14H18Cl2O4" ;
dbo:inchi "InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3" ;
dbo:iupacName "2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate"@en ;
dbo:pubchem "16002"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=ZMWGIGHRZQTQRE-UHFFFAOYSA-N" ;
skos:altLabel "2,4-D butoxyethylester"@nl ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC4oxC2yEs" ;
skos:prefLabel "2,4-d butoxyethylester"@nl .
csc:ZOWMRHVAQGTFTG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:99813 ;
dbo:casNumber "10118-32-8" ;
dbo:formula "C62H85N11O16" ;
dbo:inchi "InChI=1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)" ;
dbo:iupacName "4,6-dimethyl-3-oxo-N,N'-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"@en ;
dbo:pubchem "99813"^^xsd:int ;
dbo:smiles "CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C" ;
dbp:inchikey "InChIKey=ZOWMRHVAQGTFTG-UHFFFAOYSA-N" ;
skos:altLabel "2-deaminoactinomycine d"@nl ;
skos:broader csc:CHEMONTID_0001994 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2dAoatnmcnD" ;
skos:prefLabel "2-deaminoactinomycine D"@nl .
csc:JFALSRSLKYAFGM-NOHWODKXSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:177622 ;
dbo:casNumber "15700-08-0" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-7" ;
dbo:iupacName "uranium-231"@en ;
dbo:pubchem "177622"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-NOHWODKXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U231" ;
skos:prefLabel "uranium 231"@nl .
csc:BOTWFXYSPFMFNR-HMMYKYKNSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5366244 ;
dbo:casNumber "102608-53-7" ;
dbo:formula "C20H40O" ;
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+" ;
dbo:iupacName "['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol']"@en ;
dbo:pubchem "5366244"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C" ;
dbp:inchikey "InChIKey=BOTWFXYSPFMFNR-HMMYKYKNSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "371115T4C1y2" ;
skos:prefLabel "3,7,11,15-tetramethyl-2-hexadecen-1-ol"@nl .
csc:CHEMONTID_0000058
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000058 ;
skos:definition "Polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:JJGYGPZNTOPXGV-SSTWWWIQSA-N , csc:OROGSEYTTFOCAN-DNJOTXNNSA-N , csc:XJIXIEBYTLLFCV-FAISOMDOSA-N , csc:GVGLGOZIDCSQPN-PVHGPHFFSA-N , csc:HKOIXWVRNLGFOR-YANNOFPNSA-N ;
skos:notation "CHEMONTID:0000058" ;
skos:prefLabel "Morphinans"@en .
csc:QQINRWTZWGJFDB-OUBTZVSYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:105063 ;
dbo:casNumber "14331-83-0" ;
dbo:formula "Ac" ;
dbo:inchi "InChI=1S/Ac/i1+1" ;
dbo:iupacName "actinium-228"@en ;
dbo:pubchem "105063"^^xsd:int ;
dbo:smiles "[Ac]" ;
dbp:inchikey "InChIKey=QQINRWTZWGJFDB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ac228" ;
skos:prefLabel "actinium 228"@nl .
csc:CHEMONTID_0004659
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004659 ;
skos:definition "Organic compounds containing a 1,2,3-triazine ring fused to a benzene ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0004659" ;
skos:prefLabel "Benzo-1,2,3-triazines"@en .
csc:SVONRAPFKPVNKG-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8095 ;
dbo:casNumber "111-15-9" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3" ;
dbo:iupacName "2-Ethoxyethyl acetate"@en ;
dbo:pubchem "8095"^^xsd:int ;
dbo:smiles "CCOCCOC(=O)C" ;
dbp:inchikey "InChIKey=SVONRAPFKPVNKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2oxC2yactt" ;
skos:prefLabel "ethoxyethylacetaat"@nl .
csc:MCJGNVYPOGVAJF-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1923 ;
dbo:casNumber "123574-67-4" , "148-24-3" , "24804-14-6" ;
dbo:formula "C9H7NO" ;
dbo:inchi "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H" ;
dbo:iupacName "quinolin-8-ol"@en ;
dbo:pubchem "1923"^^xsd:int ;
dbo:smiles "C1=CC2=C(C(=C1)O)N=CC=C2" ;
dbp:inchikey "InChIKey=MCJGNVYPOGVAJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003953 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8chinlnl" ;
skos:prefLabel "8-chinolinol"@nl .
csc:WWRCMNKATXZARA-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10703 ;
dbo:casNumber "25155-15-1" , "52857-36-0" , "527-84-4" , "8023-69-6" , "1329-98-2" , "40356-70-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3" ;
dbo:iupacName "1-methyl-2-propan-2-ylbenzene"@en ;
dbo:pubchem "10703"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(C)C" ;
dbp:inchikey "InChIKey=WWRCMNKATXZARA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y21C1yC2y" ;
skos:prefLabel "1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)"@nl .
csc:NHGXDBSUJJNIRV-UHFFFAOYSA-M
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70681 ;
dbo:casNumber "25147-59-5" , "1112-67-0" ;
dbo:formula "C16H36ClN" ;
dbo:inchi "InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrabutylazanium chloride"@en ;
dbo:pubchem "70681"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]" ;
dbp:inchikey "InChIKey=NHGXDBSUJJNIRV-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4Cl" ;
skos:prefLabel "tetrabutylammoniumchloride"@nl .
csc:NCKMMSIFQUPKCK-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8425 ;
dbo:casNumber "144246-47-9" , "8013-49-8" , "120-32-1" ;
dbo:formula "C13H11ClO" ;
dbo:inchi "InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2" ;
dbo:iupacName "4-Chloro-2-(phenylmethyl)phenol"@en ;
dbo:pubchem "8425"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O" ;
dbp:inchikey "InChIKey=NCKMMSIFQUPKCK-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-2-benzylfenol"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clfn" ;
skos:prefLabel "chlorofeen"@nl .
csc:VGEOUKPOQQEQSX-UHFFFAOYSA-M
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32325 ;
dbo:casNumber "21593-23-7" ;
dbo:formula "C17H16N3NaO6S2" ;
dbo:inchi "InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1" ;
dbo:iupacName "sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "32325"^^xsd:int ;
dbo:smiles "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=VGEOUKPOQQEQSX-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefapirine"@nl .
csc:PQKBPHSEKWERTG-LLVKDONJSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91707 ;
dbo:casNumber "71283-80-2" ;
dbo:formula "C18H16ClNO5" ;
dbo:inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1" ;
dbo:iupacName "ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate"@en ;
dbo:pubchem "91707"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=PQKBPHSEKWERTG-LLVKDONJSA-N" ;
skos:altLabel "fenoxaprop-p-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenxppPC2y" ;
skos:prefLabel "fenoxaprop-P-ethyl"@nl .
csc:CHEMONTID_0002348
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002348 ;
skos:definition "Heterocyclic compounds containing a quinoline moiety substituted with a phenyl group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YTRMTPPVNRALON-UHFFFAOYSA-N , csc:NOCJXYPHIIZEHN-UHFFFAOYSA-N , csc:KNWODGJQLCISLC-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0002348" ;
skos:prefLabel "Phenylquinolines"@en .
csc:HUBANNPOLNYSAD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15553 ;
dbo:casNumber "1702-17-6" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)" ;
dbo:iupacName "3,6-Dichloropyridine-2-carboxylic acid"@en ;
dbo:pubchem "15553"^^xsd:int ;
dbo:smiles "C1=CC(=NC(=C1Cl)C(=O)O)Cl" ;
dbp:inchikey "InChIKey=HUBANNPOLNYSAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002414 ;
skos:exactMatch wise:CAS_1702-17-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cloprld" ;
skos:prefLabel "clopyralid"@nl ;
vcs:vmmParameterId "2148"^^xsd:int .
csc:CHEMONTID_0002491
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002491 ;
skos:definition "Azole derivatives obtained by conversion of both double bonds of the azole ring to single bonds, yielding a saturated ring."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002491" ;
skos:prefLabel "Azolidines"@en .
csc:WIBFFTLQMKKBLZ-SEYXRHQNSA-N
a skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5354342 ;
dbo:casNumber "142-77-8" ;
dbo:formula "C22H42O2" ;
dbo:inchi "InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-" ;
dbo:iupacName "butyl (Z)-octadec-9-enoate"@en ;
dbo:pubchem "5354342"^^xsd:int ;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)OCCCC" ;
dbp:inchikey "InChIKey=WIBFFTLQMKKBLZ-SEYXRHQNSA-N" ;
skos:altLabel "(Z)-9-octadeceenzuur butylester"@nl ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Z-9C18ezrC4y" ;
skos:prefLabel "(z)-9-octadeceenzuur butylester"@nl .
csc:CHEMONTID_0000037
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000037 ;
skos:definition "Organic compounds containing an ethenylbenzene moiety."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:UBCKGWBNUIFUST-BJMVGYQFSA-N , csc:PPBRXRYQALVLMV-UHFFFAOYSA-N , csc:LVGUHATVVHIJET-CMDGGOBGSA-N ;
skos:notation "CHEMONTID:0000037" ;
skos:prefLabel "Styrenes"@en .
csc:HTQMVQVXFRQIKW-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2541 ;
dbo:casNumber "139481-59-7" ;
dbo:formula "C24H20N6O3" ;
dbo:inchi "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)" ;
dbo:iupacName "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid"@en ;
dbo:pubchem "2541"^^xsd:int ;
dbo:smiles "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O" ;
dbp:inchikey "InChIKey=HTQMVQVXFRQIKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "candstn" ;
skos:prefLabel "candesartan"@nl .
csc:GNSFRPWPOGYVLO-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17694 ;
dbo:casNumber "68298-92-0" , "39420-45-6" , "50858-50-9" , "55844-66-1" , "72146-59-9" , "2761-09-3" , "111173-57-0" , "78736-62-6" ;
dbo:formula "C7H12O3" ;
dbo:inchi "InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3" ;
dbo:iupacName "3-hydroxypropyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "17694"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCCO" ;
dbp:inchikey "InChIKey=GNSFRPWPOGYVLO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOC3ymtclt" ;
skos:prefLabel "3-hydroxypropylmethacrylaat"@nl .
csc:CHEMONTID_0004155
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0004155 ;
skos:definition "Aromatic compounds containing two benzene rings linked to each other through an ether group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:YREQHYQNNWYQCJ-UHFFFAOYSA-N , csc:HPYNBECUCCGGPA-UHFFFAOYSA-N , csc:AMVYOVYGIJXTQB-UHFFFAOYSA-N , csc:USIUVYZYUHIAEV-UHFFFAOYSA-N , csc:IPPAUTOBDWNELX-UHFFFAOYSA-N , csc:WIFXJBMOTMKRMM-UHFFFAOYSA-N , csc:SUSRORUBZHMPCO-UHFFFAOYSA-N , csc:PCCSBWNGDMYFCW-UHFFFAOYSA-N , csc:TYIYMOAHACZAMQ-CQSZACIVSA-N , csc:PGPNJCAMHOJTEF-UHFFFAOYSA-N , csc:BACHBFVBHLGWSL-UHFFFAOYSA-N , csc:CONWAEURSVPLRM-UHFFFAOYSA-N , csc:XQUXKZZNEFRCAW-UHFFFAOYSA-N , csc:WOWBFOBYOAGEEA-UHFFFAOYSA-N , csc:DDBMQDADIHOWIC-UHFFFAOYSA-N , csc:HLBLWEWZXPIGSM-UHFFFAOYSA-N , csc:XEFQLINVKFYRCS-UHFFFAOYSA-N , csc:INISTDXBRIBGOC-UHFFFAOYSA-N , csc:BQYJATMQXGBDHF-UHFFFAOYSA-N , csc:MKUMTCOTMQPYTQ-UHFFFAOYSA-N , csc:INISTDXBRIBGOC-XMMISQBUSA-N , csc:IVUXTESCPZUGJC-UHFFFAOYSA-N , csc:NHDHVHZZCFYRSB-UHFFFAOYSA-N , csc:HJUFTIJOISQSKQ-UHFFFAOYSA-N , csc:OQMBBFQZGJFLBU-UHFFFAOYSA-N , csc:XITQUSLLOSKDTB-UHFFFAOYSA-N , csc:RDJGLLICXDHJDY-UHFFFAOYSA-N , csc:WPALTCMYPARVNV-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0004155" ;
skos:prefLabel "Diphenylethers"@en .
csc:CHEMONTID_0001179
skos:narrower csc:VIONGDJUYAYOPU-UHFFFAOYSA-N , csc:ALVYVCQIFHTIRD-UHFFFAOYSA-N .
csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8800 ;
dbo:casNumber "150-68-5" ;
dbo:formula "C9H11ClN2O" ;
dbo:inchi "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Chlorophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "8800"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=BMLIZLVNXIYGCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_150-68-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monrn" ;
skos:prefLabel "monuron"@nl ;
vcs:vmmParameterId "973"^^xsd:int .
csc:PRPINYUDVPFIRX-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6862 ;
dbo:casNumber "61913-11-9" , "86-87-3" , "26445-01-2" ;
dbo:formula "C12H10O2" ;
dbo:inchi "InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)" ;
dbo:iupacName "2-naphthalen-1-ylacetic acid"@en ;
dbo:pubchem "6862"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC(=O)O" ;
dbp:inchikey "InChIKey=PRPINYUDVPFIRX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1NafHAc" ;
skos:prefLabel "1-naftaleenazijnzuur"@nl .
csc:RRLGETDMEIMLQU-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3032832 ;
dbo:casNumber "106400-82-2" , "27176-93-8" ;
dbo:formula "C19H32O3" ;
dbo:inchi "InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3" ;
dbo:iupacName "2-[2-(2-nonylphenoxy)ethoxy]ethanol"@en ;
dbo:pubchem "3032832"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCO" ;
dbp:inchikey "InChIKey=RRLGETDMEIMLQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO2" ;
skos:prefLabel "nonylfenoldiethoxylaat"@nl .
csc:CHEMONTID_0002327
skos:narrower csc:ZAFYATHCZYHLPB-UHFFFAOYSA-N , csc:YXKMMRDKEKCERS-UHFFFAOYSA-N .
csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11335 ;
dbo:casNumber "576-26-1" , "25134-01-4" , "50356-22-4" , "28449-96-9" , "1300-71-6" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3" ;
dbo:iupacName "2,6-Dimethylphenol"@en ;
dbo:pubchem "11335"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)O" ;
dbp:inchikey "InChIKey=NXXYKOUNUYWIHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_576-26-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yFol" ;
skos:prefLabel "2,6-dimethylfenol"@nl ;
vcs:vmmParameterId "701"^^xsd:int .
csc:RGCLLPNLLBQHPF-HJWRWDBZSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3032604 ;
dbo:casNumber "23783-98-4" , "13171-21-6" ;
dbo:formula "C10H19ClNO5P" ;
dbo:inchi "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-" ;
dbo:iupacName "['(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl)oxy-hydroxy-dimethoxyphosphanium', '[(Z)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']"@en ;
dbo:pubchem "3032604"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl" ;
dbp:inchikey "InChIKey=RGCLLPNLLBQHPF-HJWRWDBZSA-N" ;
skos:altLabel "cis-fosfamidon"@nl ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfmdn" , "cfosfmdn" ;
skos:prefLabel "fosfamidon"@nl .
csc:PHSUVQBHRAWOQD-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37523 ;
dbo:casNumber "36756-79-3" ;
dbo:formula "C16H25NOS" ;
dbo:inchi "InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3" ;
dbo:iupacName "S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate"@en ;
dbo:pubchem "37523"^^xsd:int ;
dbo:smiles "CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=PHSUVQBHRAWOQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tocbzl" ;
skos:prefLabel "tiocarbazil"@nl .
csc:CHEMONTID_0000095
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0000095 ;
skos:definition "Heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:SJXPQSRCFCPWQQ-UHFFFAOYSA-N , csc:JPMIIZHYYWMHDT-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0000095" ;
skos:prefLabel "Thiazoles"@en .
csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N
a dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12007 ;
dbo:casNumber "615-65-6" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-4-methylaniline"@en ;
dbo:pubchem "12007"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)Cl" ;
dbp:inchikey "InChIKey=XGYLSRFSXKAYCR-UHFFFAOYSA-N" ;
skos:altLabel "2-chloor-para-toluïdine"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:exactMatch wise:CAS_615-65-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl4C1yAn" ;
skos:prefLabel "2-chloor-4-methylaniline"@nl ;
vcs:vmmParameterId "767"^^xsd:int .
csc:CHEMONTID_0004702
skos:narrower csc:XPJVKCRENWUEJH-UHFFFAOYSA-N , csc:QFOHBWFCKVYLES-UHFFFAOYSA-N , csc:QELSKZZBTMNZEB-UHFFFAOYSA-N , csc:NUVBSKCKDOMJSU-UHFFFAOYSA-N , csc:MOZDKDIOPSPTBH-UHFFFAOYSA-N , csc:LXCFILQKKLGQFO-UHFFFAOYSA-N .
csc:FBOZXECLQNJBKD-ZDUSSCGKSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:126941 ;
dbo:casNumber "59-05-2" ;
dbo:formula "C20H22N8O5" ;
dbo:inchi "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" ;
dbo:iupacName "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid"@en ;
dbo:pubchem "126941"^^xsd:int ;
dbo:smiles "CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O" ;
dbp:inchikey "InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N" ;
skos:broader csc:CHEMONTID_0004323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mettxt" ;
skos:prefLabel "methotrexaat"@nl .
csc:CXBDYQVECUFKRK-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12338 ;
dbo:casNumber "628-28-4" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3" ;
dbo:iupacName "1-Methoxybutane"@en ;
dbo:pubchem "12338"^^xsd:int ;
dbo:smiles "CCCCOC" ;
dbp:inchikey "InChIKey=CXBDYQVECUFKRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1oxC4a" ;
skos:prefLabel "1-methoxybutaan"@nl .
csc:CHEMONTID_0001243
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001243 ;
skos:definition "Organic compounds containing a four-member lactone (a cyclic ester)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:narrower csc:VEZXCJBBBCKRPI-UHFFFAOYSA-N ;
skos:notation "CHEMONTID:0001243" ;
skos:prefLabel "Beta propiolactones"@en .
csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N
a dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18555 ;
dbo:casNumber "3209-22-1" , "27900-75-0" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H" ;
dbo:iupacName "1,2-Dichloro-3-nitrobenzene"@en ;
dbo:pubchem "18555"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=CMVQZRLQEOAYSW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_3209-22-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClNO2Ben" ;
skos:prefLabel "2,3-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "774"^^xsd:int .
csc:CHEMONTID_0002868
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0002868 ;
skos:definition "Organic compounds in which the halogen atom is bonded to an sp2-hybridised carbon atom of a carbon-carbon double bond (C=C)."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0002868" ;
skos:prefLabel "Vinyl halides"@en .
csc:BQENMISTWGTJIJ-UHFFFAOYSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:51075 ;
dbo:casNumber "70424-69-0" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "51075"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BQENMISTWGTJIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB107" ;
skos:prefLabel "2,3,3',4,5-pentachloorbifenyl"@nl .
csc:GETQZCLCWQTVFV-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1146 ;
dbo:casNumber "4558-12-7" , "75-50-3" ;
dbo:formula "C3H9N" ;
dbo:inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" ;
dbo:iupacName "N,N-dimethylmethanamine"@en ;
dbo:pubchem "1146"^^xsd:int ;
dbo:smiles "CN(C)C" ;
dbp:inchikey "InChIKey=GETQZCLCWQTVFV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yAe" ;
skos:prefLabel "trimethylamine"@nl .
csc:SKBBQSLSGRSQAJ-UHFFFAOYSA-N
a skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13888 ;
dbo:casNumber "1009-61-6" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3" ;
dbo:iupacName "1-(4-acetylphenyl)ethanone"@en ;
dbo:pubchem "13888"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=C(C=C1)C(=O)C" ;
dbp:inchikey "InChIKey=SKBBQSLSGRSQAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DactBen" ;
skos:prefLabel "1,4-diacetylbenzeen"@nl .
csc:APQSQLNWAIULLK-UHFFFAOYSA-N
a dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11304 ;
dbo:casNumber "571-58-4" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3" ;
dbo:iupacName "1,4-Dimethylnaphthalene"@en ;
dbo:pubchem "11304"^^xsd:int ;
dbo:smiles "CC1=CC=C(C2=CC=CC=C12)C" ;
dbp:inchikey "InChIKey=APQSQLNWAIULLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1yNaf" ;
skos:prefLabel "1,4-dimethylnaftaleen"@nl .
csc:CHEMONTID_0001158
a skos:Concept ;
rdfs:seeAlso tax_nodes:C0001158 ;
skos:definition "Compounds containing a pyrrolidine ring which bears a C=O group."@en ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHEMONTID:0001158" ;
skos:prefLabel "Pyrrolidones"@en .
csc:HVGRZDASOHMCSK-AVQMFFATSA-N
a dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5282807 ;
dbo:casNumber "7370-49-2" ;
dbo:formula "C22H40O2" ;
dbo:inchi "InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6+,10-9+" ;
dbo:iupacName "(13E,16E)-docosa-13,16-dienoic acid"@en ;
dbo:pubchem "5282807"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=HVGRZDASOHMCSK-AVQMFFATSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1316C22aDzr" ;
skos:prefLabel "cis-13,16-docosadieenzuur"@nl .