DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:41:39 UTC
Update Date	2025-03-21 17:59:08 UTC
HMDB ID	HMDB0128022
Metabolite Identification
DeepMet ID	DMID00019001
Name	6-(5-carboxy-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	216.9
Structure
Chemical Formula	C₁₄H₁₆O₁₁
Molecular Mass	360.0693
SMILES	COc1cc(C(=O)O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O
InChI Key	ILWDNUVZYSRINE-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 hydroxybenzoic acid derivatives m-methoxybenzoic acids and derivatives methoxybenzenes methoxyphenols monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes 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 methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal benzoic acid m-methoxybenzoic acid or derivatives oxane organoheterocyclic compound hydrolyzable tannin alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid methoxybenzene hydroxybenzoic acid oxacycle organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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