Structure Information
Structure

Compound Identification

SMILES

OC1C(O)[C@H](OC2=C(O)C=C(C=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O

InChIKey

InChIKey=OUQZCILJSVDJFB-JLWVTEDMSA-N

Formula

C21H18O13

Mass

478.362

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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 - 3-hydroxyflavone - Hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Fatty acyl glycoside - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - 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 (LMPK12112229) : Flavones and Flavonols

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