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CHEBI:172686 - C.I. Pigment Blue 63

Default Structure
ChEBI IDCHEBI:172686
ChEBI NameC.I. Pigment Blue 63
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaAl.C16H10N2O8S2
Net Charge+3
Average Mass449.378
Monoisotopic Mass448.96775
SMILESO=C1C(c2nc3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21.[Al+3]
InChIInChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);/q;+3
InChIKeyINHYHTBURMMHBG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
C.I. Pigment Blue 63 (CHEBI:172686) is a hydroxyindoles (CHEBI:84729)
IUPAC Name 
aluminum;2-(3-hydroxy-5-sulo-1H-indol-2-yl)-3-oxoindole-5-sulonic acid