(S)-isoochracinate A1 (CHEBI:213952)

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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	(S)-isoochracinate A1

ChEBI ID	CHEBI:213952

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H10O5

Net Charge

Average Mass

222.196

Monoisotopic Mass

222.05282

InChI

InChI=1S/C11H10O5/c1-15-9(13)5-8-6-3-2-4-7(12)10(6)11(14)16-8/h2-4,8,12H,5H2,1H3/t8-/m0/s1

InChIKey

XJDPLHFMBSHYTB-QMMMGPOBSA-N

SMILES

O=C1O[C@@H](CC(=O)OC)C=2C1=C(O)C=CC2

Metabolite of Species	Details
Alternaria (NCBI:txid5598)	See: PubMed

ChEBI Ontology
Outgoing	(S)-isoochracinate A1 (CHEBI:213952) is a benzofurans (CHEBI:35259)

IUPAC Name

methyl 2-[(1S)-4-hydroxy-3-oxo-1H-2-benzouran-1-yl]acetate