DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:38:00 UTC
Update Date	2025-03-21 17:57:53 UTC
HMDB ID	HMDB0140927
Metabolite Identification
DeepMet ID	DMID00010840
Name	6-(5-carboxy-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	431.4
Structure
Chemical Formula	C₁₄H₁₆O₁₀
Molecular Mass	344.0743
SMILES	COc1ccc(C(=O)O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	WREVRVHLTSYMIJ-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	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 methoxybenzenes 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 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 methoxybenzene oxacycle organic oxygen compound p-methoxybenzoic acid or derivatives pyran anisole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID00010840