Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1C(O)[C@H](OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)OC([C@H]1O)C(O)=O

InChIKey

InChIKey=HUZYIABAGFALTN-LFPOBHQBSA-N

Formula

C21H18O17S

Mass

574.42

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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-8-O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-8-o-glucuronide - Flavonoid-8-o-glycoside - 3-sulfated flavonoid - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Glycosyl compound - Chromone - O-glycosyl compound - 1-benzopyran - Benzopyran - Arylsulfate - Catechol - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Benzenoid - Hydroxy acid - Sulfuric acid monoester - Sulfate-ester - Monosaccharide - Monocyclic benzene moiety - Sulfuric acid ester - Vinylogous acid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Polyol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-8-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C8-position.

External Descriptors

LIPIDMAPS (LMPK12113221) : Flavones and Flavonols

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