2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one (CHEBI:216204)

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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	2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one

ChEBI ID	CHEBI:216204

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H12O7

Net Charge

Average Mass

232.188

Monoisotopic Mass

232.05830

InChI

InChI=1S/C9H12O7/c1-8(13)5(11)4(10)6(15-2)9(8,14)7(12)16-3/h10,13-14H,1-3H3/t8-,9-/m1/s1

InChIKey

FGQFFODKJBQKCL-RKDXNWHRSA-N

SMILES

O=C1C(O)=C(OC)[C@@]([C@@]1(O)C)(O)C(=O)OC

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

ChEBI Ontology
Outgoing	2,4,5-trihydroxy-3-methoxy-4-methoxycarbonyl-5-methyl-2-cyclopenten-1-one (CHEBI:216204) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name

methyl (1R,5S)-1,3,5-trihydroxy-2-methoxy-5-methyl-4-oxocyclopent-2-ene-1-carboxylate