DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:51 UTC
Update Date	2025-03-21 18:33:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00095253
Frequency	29.1
Structure
Chemical Formula	C₂₈H₃₂O₁₈
Molecular Mass	656.1589
SMILES	COc1ccc(C2Oc3cc(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	XLJILVMFPQUFPJ-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 3-hydroxyflavonoids 4'-o-methylated flavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon 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 catechin oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran methoxybenzene anisole 7-hydroxyflavonoid dicarboxylic acid or derivatives 4p-methoxyflavonoid-skeleton hydrocarbon derivative phenoxy compound carbonyl group ether glucuronic acid or derivatives flavan 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative flavonoid-5-o-glucuronide organic oxide aromatic heteropolycyclic compound chromane pyran carboxylic acid or derivatives hydroxy acid oxacycle organic oxygen compound pyran secondary alcohol benzenoid organooxygen compound

Showing information for DMID00095253