Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@H](O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O

InChIKey

InChIKey=NKYQUGHUBXCWFU-DTCGYDHASA-N

Formula

C28H22O17

Mass

630.467

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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 - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Galloyl ester - Gallic acid or derivatives - Chromone - P-hydroxybenzoic acid alkyl ester - Glycosyl compound - P-hydroxybenzoic acid ester - M-hydroxybenzoic acid ester - O-glycosyl compound - Benzopyran - Benzoate ester - 1-benzopyran - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoyl - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Pyranone - Phenol - Monosaccharide - Oxane - Pyran - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Polyol - Carboxylic acid - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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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