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CHEBI:217273 - Azacoccone E

ChEBI IDCHEBI:217273
ChEBI NameAzacoccone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15NO6
Net Charge0
Average Mass281.264
Monoisotopic Mass281.08994
SMILESCOC(=O)[C@H](C)N1Cc2c(O)c(O)c(O)c(C)c2C1=O
InChIInChI=1S/C13H15NO6/c1-5-8-7(10(16)11(17)9(5)15)4-14(12(8)18)6(2)13(19)20-3/h6,15-17H,4H2,1-3H3/t6-/m0/s1
InChIKeyLEKZUYHQMFKATF-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (29106995)
ChEBI Ontology
Outgoing Relation(s)
Azacoccone E (CHEBI:217273) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (2S)-2-(5,6,7-trihydroxy-4-methyl-3-oxo-1H-isoindol-2-yl)propanoate
Manual XrefsDatabases
65323182ChemSpider