Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OC2=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)=C1

InChIKey

InChIKey=XXRCMNSCVDUMPU-KMOGSMKMSA-N

Formula

C31H26O15

Mass

638.534

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-7-O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Methoxyphenol - Anisole - Styrene - Phenoxy compound - Methoxybenzene - Phenol ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Oxane - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Pyran - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Ether - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Oxacycle - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.

External Descriptors

LIPIDMAPS (LMPK12111104) : Flavones and Flavonols

Previous Back Next