Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(O)=C2C(OC(C3=CC(O)=C(O)C=C3)=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O)C2=O)=C1

InChIKey

InChIKey=LXRXCGFZDXOZBX-GPKVJQJWSA-N

Formula

C37H36O22

Mass

832.673

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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 - 7-methoxyflavonoid-skeleton - Flavone - Hydroxyflavonoid - 3'-hydroxyflavonoid - 6-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Styrene - Catechol - Anisole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Fatty acid ester - Phenol - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Oxane - Hydroxy acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Acetal - Ether - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - 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 (LMPK12112968) : Flavones and Flavonols

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