Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C(O)[C@H](CC2=C(O[C@@H]3OC([C@@H](O)C(O)C3O)C(O)=O)C=CC(=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@H]1O)C(O)=O

InChIKey

InChIKey=YCWTXXXAMOMFHY-AJYLMHCWSA-N

Formula

C28H28O17

Mass

636.515

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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

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-4p-o-glucuronide - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - C-glucuronide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Glycosyl compound - Chromone - C-glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Pyran - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Hydroxy acid - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Polyol - Ether - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

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

External Descriptors

LIPIDMAPS (LMPK12110676) : Flavones and Flavonols

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