DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:03:02 UTC
Update Date	2025-03-21 18:07:27 UTC
HMDB ID	HMDB0128085
Metabolite Identification
DeepMet ID	DMID00069440
Name	6-{3,5-dihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency	43.5
Structure
Chemical Formula	C₂₁H₂₀O₁₁
Molecular Mass	448.1006
SMILES	O=C(C=Cc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	WBBPBPMWCLVTBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alpha,beta-unsaturated ketones aryl ketones benzoyl derivatives beta hydroxy acids and derivatives carboxylic acids cinnamylphenols glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids resorcinols secondary alcohols vinylogous acids
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 cinnamylphenol alpha,beta-unsaturated ketone carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives resorcinol ketone 1-o-glucuronide cinnamic acid or derivatives beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound alcohol linear 1,3-diarylpropanoid pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid flavonoid o-glycoside hydroxycinnamic acid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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