DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:52:00 UTC
Update Date	2025-03-21 18:03:18 UTC
HMDB ID	HMDB0240538
Metabolite Identification
DeepMet ID	DMID00043359
Name	Isovanillic acid glucuronide
Frequency	78.4
Structure
Chemical Formula	C₁₄H₁₆O₁₀
Molecular Mass	344.0743
SMILES	COc1ccc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1O
InChI Key	HATMKBLUSXVYDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-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 methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes p-methoxybenzoic acids and derivatives phenoxy compounds pyran carboxylic acids secondary alcohols m-hydroxybenzoic acid esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 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 organic oxide acetal oxane m-hydroxybenzoic acid ester organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle p-methoxybenzoic acid or derivatives pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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