DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-20 23:43:43 UTC
Update Date	2025-03-21 17:59:50 UTC
HMDB ID	HMDB0124973
Metabolite Identification
DeepMet ID	DMID00023630
Name	6-{3-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	166.2
Structure
Chemical Formula	C₁₅H₁₆O₉
Molecular Mass	340.0794
SMILES	O=C(O)C=Cc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI Key	XPCHMFOWDFTFNV-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 acids cinnamic acids and derivatives dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide cinnamic acid or derivatives beta-hydroxy acid organic oxide acetal oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound

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