Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=DAKHAONGVOPWRO-NTKSAMNMSA-N

Formula

C22H20O13

Mass

492.389

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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 - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Catechol - Pyranone - Phenol - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Benzenoid - Oxane - Hydroxy acid - Monocyclic benzene moiety - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Methyl ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - 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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