Structure Information
Structure

Compound Identification

SMILES

OC1C(O)C(OC2=C(O)C(O)=C3C(=O)C(O)C(OC3=C2)C2=C(O)C(O)=C(O)C=C2)OC(C1O)C(O)=O

InChIKey

InChIKey=HIAAEZQWDPKIEQ-UHFFFAOYSA-N

Formula

C21H20O15

Mass

512.376

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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 - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavanonol - 6-hydroxyflavonoid - Flavanone - Flavan - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - Chromane - 1-benzopyran - Benzenetriol - Pyrogallol derivative - 5-unsubstituted pyrrogallol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Beta-hydroxy acid - Phenol - Oxane - Monosaccharide - Pyran - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Secondary alcohol - Monocarboxylic acid or derivatives - Polyol - Ether - Acetal - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - 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

Not available

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