DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:39 UTC
Update Date	2025-03-21 18:02:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00037742
Frequency	93.1
Structure
Chemical Formula	C₂₂H₂₄O₁₂
Molecular Mass	480.1268
SMILES	CC1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI Key	CWGMLBJITPIKHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins flavans glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids secondary alcohols tertiary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carboxylic acid 1-benzopyran o-glucuronide monosaccharide pyran carboxylic acid flavonoid-3p-o-glucuronide 1-o-glucuronide beta-hydroxy acid saccharide acetal catechin oxane organoheterocyclic compound alcohol benzopyran 5-hydroxyflavonoid 7-hydroxyflavonoid phenol hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle tertiary alcohol monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid benzenoid organooxygen compound

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