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CHEBI:217266 - Azacoccone D

ChEBI IDCHEBI:217266
ChEBI NameAzacoccone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17NO6
Net Charge0
Average Mass295.291
Monoisotopic Mass295.10559
SMILESCOC(=O)CCN1Cc2c(O)c(OC)c(O)c(C)c2C1=O
InChIInChI=1S/C14H17NO6/c1-7-10-8(12(18)13(21-3)11(7)17)6-15(14(10)19)5-4-9(16)20-2/h17-18H,4-6H2,1-3H3
InChIKeySBRGDJSOYUSMOV-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 D (CHEBI:217266) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
methyl 3-(5,7-dihydroxy-6-methoxy-4-methyl-3-oxo-1H-isoindol-2-yl)propanoate
Manual XrefsDatabases
65323181ChemSpider