DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:33:40 UTC
Update Date	2025-03-21 17:56:12 UTC
HMDB ID	HMDB0029175
Metabolite Identification
DeepMet ID	DMID00000650
Name	3'-O-methyl-(-)-epicatechin
Frequency	8525.0
Structure
Chemical Formula	C₁₆H₁₆O₆
Molecular Mass	304.0947
SMILES	COc1cc(C2Oc3cc(O)cc(O)c3CC2O)ccc1O
InChI Key	NJHJXXLBWQXMRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	catechins
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-o-methylated flavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles hydrocarbon derivatives methoxybenzenes methoxyphenols oxacyclic compounds phenoxy compounds secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether aromatic heteropolycyclic compound chromane catechin organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3p-methoxyflavonoid-skeleton oxacycle organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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