DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:43:53 UTC
Update Date	2025-03-21 17:59:54 UTC
HMDB ID	HMDB0126637
Metabolite Identification
DeepMet ID	DMID00024006
Name	6-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	162.8
Structure
Chemical Formula	C₁₃H₁₄O₁₁
Molecular Mass	346.0536
SMILES	O=C(O)c1cc(O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI Key	WGYCQDRFPFTOJY-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 1-hydroxy-4-unsubstituted benzenoids acetals 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 monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide 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 1-hydroxy-4-unsubstituted benzenoid hydroxybenzoic acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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