Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C(O)[C@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O[C@@H]3OC([C@H](O)[C@H](O)C3O)C(O)=O)=C(O)C=C2)OC([C@@H]1O)C(O)=O

InChIKey

InChIKey=OPANBGHBBMSMQC-LPAQUCEOSA-N

Formula

C27H26O18

Mass

638.487

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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 (LMPK12110668) : Flavones and Flavonols

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