Structure Information
Structure

Compound Identification

SMILES

CC1O[C@@H](OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)C(O)=O)C=C3O2)[C@@H](O)C(O)[C@H]1O

InChIKey

InChIKey=PYKXXYKNFWZUIX-FVEIQTJESA-N

Formula

C27H28O16

Mass

608.505

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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 - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Chromone - Glycosyl compound - O-glycosyl compound - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Hydroxy acid - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Polyol - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - 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

LIPIDMAPS (LMPK12110671) : Flavones and Flavonols

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