Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=O)C2=C(O)C3=C(OCO3)C=C2O1

InChIKey

InChIKey=MRRDNEKQNDQHAF-NKUGBYDDSA-N

Formula

C24H22O14

Mass

534.426

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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 - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - Dimethoxybenzene - O-dimethoxybenzene - 1-benzopyran - Benzopyran - Benzodioxole - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Oxane - Monosaccharide - Hydroxy acid - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Polyol - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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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