DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:51 UTC
Update Date	2025-03-25 00:45:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150790
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₄O₁₃
Molecular Mass	508.1217
SMILES	COc1ccc(C2Oc3c(O)cc(C(=O)O)cc3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	LKTGTXKXKHOCEN-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'-o-methylated flavonoids 8-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives flavan-3-ols glucuronic acid derivatives hydrocarbon derivatives hydroxybenzoic acid derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary 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 oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran methoxybenzene hydroxybenzoic acid anisole dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound 8-hydroxyflavonoid 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 organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

Showing information for DMID02150790