(3R,4S)-3,4-dihydro-4,5,8-trihydroxy-3-methylisocoumarin (CHEBI:212967)

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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	(3R,4S)-3,4-dihydro-4,5,8-trihydroxy-3-methylisocoumarin

ChEBI ID	CHEBI:212967

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O5

Net Charge

Average Mass

210.185

Monoisotopic Mass

210.05282

InChI

InChI=1S/C10H10O5/c1-4-9(13)7-5(11)2-3-6(12)8(7)10(14)15-4/h2-4,9,11-13H,1H3/t4-,9-/m1/s1

InChIKey

UKOUEEGEHXWHHO-ALFREKQPSA-N

SMILES

O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2O)C

Metabolite of Species	Details
Phomopsis (NCBI:txid34399)	See: DOI

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	(3R,4S)-3,4-dihydro-4,5,8-trihydroxy-3-methylisocoumarin (CHEBI:212967) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3R,4S)-4,5,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one