Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)C(OC2CC3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O

InChIKey

InChIKey=KZOBTPYFLMPYPM-VNKNHTOISA-N

Formula

C21H22O12

Mass

466.395

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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-3-O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-3-o-glucuronide - Flavonoid-3-o-glycoside - Catechin - Flavan-3-ol - 3'-hydroxyflavonoid - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavan - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Chromane - Catechol - Phenol - Beta-hydroxy acid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Secondary alcohol - Polyol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.

External Descriptors

Not available

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