Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(OC2=C(OC3=C(C=CC(OC)=C3)C2=O)C2=CC=CC=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O

InChIKey

InChIKey=BRQDNQXQNQAPGY-KVTNQMLVSA-N

Formula

C22H20O10

Mass

444.392

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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 - 7-methoxyflavonoid-skeleton - Flavone - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - Chromone - O-glycosyl compound - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Beta-hydroxy acid - Pyranone - Hydroxy acid - Oxane - Pyran - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Ether - Polyol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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