DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:36:38 UTC
Update Date	2025-03-21 17:57:24 UTC
HMDB ID	HMDB0240572
Metabolite Identification
DeepMet ID	DMID00007601
Name	Vanillic acid glucuronide
Frequency	660.6
Structure
Chemical Formula	C₁₄H₁₆O₁₀
Molecular Mass	344.0743
SMILES	COc1cc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O
InChI Key	BSTDQIXKAVCPLC-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 acetals alkyl aryl ethers anisoles benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives m-methoxybenzoic acids and derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols p-hydroxybenzoic acid alkyl esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound p-hydroxybenzoic acid ester benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide benzoate ester alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal m-methoxybenzoic acid or derivatives oxane organoheterocyclic compound hydrolyzable tannin alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid methoxybenzene p-hydroxybenzoic acid alkyl ester oxacycle organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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