Structure Information
Structure

Compound Identification

SMILES

OCC1O[C@@H](OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H]([C@H](O)C(O)C4O)C(O)=O)C=C3O2)C(O)C(O)[C@@H]1O

InChIKey

InChIKey=DUNZXXOAZWJFBE-VZWKGHTHSA-N

Formula

C27H28O17

Mass

624.504

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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 - Hydroxyflavonoid - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Beta-hydroxy acid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyran - Hydroxy acid - Monosaccharide - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Acetal - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Primary 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 (LMPK12110672) : Flavones and Flavonols

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