Structure Information
Structure

Compound Identification

SMILES

COC1=CC=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=FBOLUQCMQZDDDO-GFHQIKDCSA-N

Formula

C28H30O17

Mass

638.531

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 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 - Benzopyran - 1-benzopyran - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Hydroxy acid - Pyran - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Polyol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Alcohol - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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 (LMPK12110555) : Flavones and Flavonols

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