Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C=C(O)C=C2O1

InChIKey

InChIKey=DIWWVZPWHQBEMJ-RAJVGBNGSA-N

Formula

C23H22O14

Mass

522.415

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavonoid glycosides

Intermediate Tree Nodes

Flavonoid O-glycosides - Flavonoid O-glucuronides

Direct Parent

Flavonoid-3-O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - Flavone - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - 1-benzopyran - Methoxyphenol - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.

External Descriptors

LIPIDMAPS (LMPK12112495) : Flavones and Flavonols

Previous Back Next