DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:53:36 UTC
Update Date	2025-03-21 18:03:54 UTC
HMDB ID	HMDB0127968
Metabolite Identification
DeepMet ID	DMID00047229
Name	6-[4-(2-carboxyeth-1-en-1-yl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	70.6
Structure
Chemical Formula	C₁₆H₁₈O₁₁
Molecular Mass	386.0849
SMILES	COc1cc(C=CC(=O)O)c(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	LLBIRRRDHFTQMN-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 4-alkoxyphenols acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound methoxyphenol o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives 1-o-glucuronide cinnamic acid or derivatives beta-hydroxy acid organic oxide acetal oxane organoheterocyclic compound alcohol 4-alkoxyphenol pyran carboxylic acid or derivatives hydroxy acid methoxybenzene hydroxycinnamic acid oxacycle pyran anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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