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CHEBI:217278 - Azacoccone C

ChEBI IDCHEBI:217278
ChEBI NameAzacoccone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15NO6
Net Charge0
Average Mass281.264
Monoisotopic Mass281.08994
SMILESCOC(=O)CCN1Cc2c(O)c(O)c(O)c(C)c2C1=O
InChIInChI=1S/C13H15NO6/c1-6-9-7(11(17)12(18)10(6)16)5-14(13(9)19)4-3-8(15)20-2/h16-18H,3-5H2,1-2H3
InChIKeyBGIAKTACAGZXJN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (29106995)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Azacoccone C (CHEBI:217278) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
methyl 3-(5,6,7-trihydroxy-4-methyl-3-oxo-1H-isoindol-2-yl)propanoate
Manual XrefsDatabases
65323180ChemSpider