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CHEBI:189920 - C.I. Pigment Yellow 100

ChEBI IDCHEBI:189920
ChEBI NameC.I. Pigment Yellow 100
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaAl.3C16H11N4O9S2
Net Charge0
Average Mass1429.233
Monoisotopic Mass1427.97177
SMILESO=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Al+3]
InChIInChI=1S/3C16H12N4O9S2.Al/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h3*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3/b3*18-17+;
InChIKeyWNVDZDLVUGYYKK-HBGYKRQNSA-K
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
C.I. Pigment Yellow 100 (CHEBI:189920) has functional parent α-amino acid (CHEBI:33704)
C.I. Pigment Yellow 100 (CHEBI:189920) is a organonitrogen compound (CHEBI:35352)
C.I. Pigment Yellow 100 (CHEBI:189920) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
aluminum;4-[[3-carboxy-5-oxo-1-(4-sulophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulonate
Manual XrefsDatabases
21160013ChemSpider