DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:00:06 UTC
Update Date	2025-03-21 18:06:18 UTC
HMDB ID	HMDB0133675
Metabolite Identification
DeepMet ID	DMID00062413
Name	3,4,5-trihydroxy-6-[(2-methyl-3-phenylpropanoyl)oxy]oxane-2-carboxylic acid
Frequency	49.7
Structure
Chemical Formula	C₁₆H₂₀O₈
Molecular Mass	340.1158
SMILES	CC(Cc1ccccc1)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	VUQLWLPBIKCXPF-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	acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenylpropanes pyran carboxylic acids secondary alcohols
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid phenylpropane 1-o-glucuronide beta-hydroxy acid organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle fatty acid ester pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid

Showing information for DMID00062413