Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(O)=O)C=C1

InChIKey

InChIKey=QZRLCSNTKHSVAP-UFUQDQTFSA-N

Formula

C23H20O13

Mass

504.4

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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-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - 3-methoxychromone - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Chromone - Glycosyl compound - Benzopyran - 1-benzopyran - Benzodioxole - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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 (LMPK12112850) : Flavones and Flavonols

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