Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](OS([O-])(=O)=O)[C@H](OC2=C(O)C=C(O)C3=C2OC(=CC3=O)C2=CC=C(O)C=C2)O[C@@H]([C@H]1OS([O-])(=O)=O)C(O)=O

InChIKey

InChIKey=QOKHDJUJQRSHRZ-SZCFVHRKSA-L

Formula

C21H16O18S2

Mass

620.46

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

Not available

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