DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-21 00:09:18 UTC
Update Date	2025-03-21 18:31:08 UTC
HMDB ID	HMDB0240462
Metabolite Identification
DeepMet ID	DMID00084446
Name	4-Methylgallic acid 3-glucuronide
Frequency	34.0
Structure
Chemical Formula	C₁₄H₁₆O₁₁
Molecular Mass	360.0693
SMILES	COc1c(O)cc(C(=O)O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	OEYVJQPXEVSKDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles benzoic acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives hydroxybenzoic acid derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes p-methoxybenzoic acids and derivatives phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal benzoic acid oxane organoheterocyclic compound hydrolyzable tannin alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene hydroxybenzoic acid oxacycle organic oxygen compound p-methoxybenzoic acid or derivatives pyran anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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