Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1=C(O)C(=O)C2=C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)C(O)=O)C=C2O1

InChIKey

InChIKey=LRGSZBPJHRDTSP-YCIBLMSHSA-N

Formula

C29H32O18

Mass

668.557

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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-7-O-glucuronides

Alternative Parents

Flavonoid-7-O-glycosides Flavonols 3'-O-methylated flavonoids 4'-O-methylated flavonoids 3-hydroxyflavonoids Phenolic glycosides O-glucuronides Chromones O-glycosyl compounds Dimethoxybenzenes Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Monosaccharides Heteroaromatic compounds Vinylogous esters Secondary alcohols Monocarboxylic acids and derivatives Polyols Carboxylic acids Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 3-hydroxyflavone - 3-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Dimethoxybenzene - O-dimethoxybenzene - 1-benzopyran - Benzopyran - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Pyranone - Beta-hydroxy acid - Benzenoid - Monocyclic benzene moiety - Pyran - Oxane - Hydroxy acid - Monosaccharide - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Acetal - Ether - Polyol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.

External Descriptors

LIPIDMAPS (LMPK12112410) : Flavones and Flavonols

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