3-Methyl-epicatechin (CHEBI:174913)

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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	3-Methyl-epicatechin

ChEBI ID	CHEBI:174913

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3/t15-,16-/m1/s1

InChIKey

BBDWMQGDVLQOSW-HZPDHXFCSA-N

SMILES

O1[C@@H]([C@](O)(CC=2C1=CC(O)=CC2O)C)C3=CC(O)=C(O)C=C3

ChEBI Ontology
Outgoing	3-Methyl-epicatechin (CHEBI:174913) is a catechin (CHEBI:23053)

IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol