Azacoccone C (CHEBI:217278)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Azacoccone C

ChEBI ID	CHEBI:217278

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H15NO6

Net Charge

Average Mass

281.264

Monoisotopic Mass

281.08994

InChI

InChI=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

InChIKey

BGIAKTACAGZXJN-UHFFFAOYSA-N

SMILES

O=C1N(CC=2C1=C(C(O)=C(O)C2O)C)CCC(=O)OC

Metabolite of Species	Details
Aspergillus flavipes (NCBI:txid41900)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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