(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one (CHEBI:205606)

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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	(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one

ChEBI ID	CHEBI:205606

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H12O6

Net Charge

Average Mass

264.233

Monoisotopic Mass

264.06339

InChI

InChI=1S/C13H12O6/c1-4-8-6-2-5(14)3-7(15)9(6)13(18)19-12(8)11(17)10(4)16/h2-4,10-11,14-17H,1H3/t4-,10+,11+/m1/s1

InChIKey

GVOFWQAJXGRHRR-REAJZDTOSA-N

SMILES

O=C1OC2=C([C@@H](C)[C@@H]([C@@H]2O)O)C=3C1=C(O)C=C(O)C3

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

ChEBI Ontology
Outgoing	(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one (CHEBI:205606) is a isocoumarins (CHEBI:38758)

IUPAC Name

(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one