Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C2OC(C3=CC(O)=C(O[C@@H]4OC([C@@H](O)C(O)C4O)C(O)=O)C=C3)=C(OC)C(=O)C2=C1O

InChIKey

InChIKey=YIDAQAJEKNRLJS-IBIMWZLVSA-N

Formula

C23H22O14

Mass

522.415

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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 - 6-methoxyflavonoid-skeleton - 3-methoxyflavonoid-skeleton - Hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 3'-hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Fatty acyl glycoside - O-glucuronide - 1-o-glucuronide - 3-methoxychromone - Glucuronic acid or derivatives - Hexose monosaccharide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monosaccharide - Hydroxy acid - Pyran - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Carbonyl group - 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 (LMPK12112918) : Flavones and Flavonols

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