DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:34 UTC
Update Date	2025-03-21 17:57:01 UTC
HMDB ID	HMDB0303923
Metabolite Identification
DeepMet ID	DMID00005153
Name	4'-Methylepigallocatechin
Frequency	1050.8
Structure
Chemical Formula	C₁₆H₁₆O₇
Molecular Mass	320.0896
SMILES	COc1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc1O
InChI Key	ITDYPNOEEHONAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavans
Direct Parent	epigallocatechins
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids alkyl aryl ethers anisoles hydrocarbon derivatives methoxybenzenes methoxyphenols oxacyclic compounds phenoxy compounds resorcinols secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid ether 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether resorcinol aromatic heteropolycyclic compound chromane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene 3'-hydroxyflavonoid oxacycle organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol 4p-methoxyflavonoid-skeleton phenol hydrocarbon derivative benzenoid phenoxy compound epigallocatechin organooxygen compound

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