Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=CC=C2)O[C@@H]([C@H]1O)C([O-])=O

InChIKey

InChIKey=IKIIZLYTISPENI-ZFORQUDYSA-M

Formula

C21H17O11

Mass

445.357

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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 - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Beta-hydroxy acid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Pyran - Hydroxy acid - Monocyclic benzene moiety - Monosaccharide - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Polyol - Acetal - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic anion - 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

CHEBI:61283 : carbohydrate acid derivative anion - monocarboxylic acid anion

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