Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@@H](OC2=C(OS(O)(=O)=O)C=CC(=C2)C2=C(OS(O)(=O)=O)C(=O)C3=CC=CC=C3O2)O[C@H]([C@@H]1O)C(O)=O

InChIKey

InChIKey=OBXKQJZBYOZFND-BJQFSTQPSA-N

Formula

C21H18O17S2

Mass

606.48

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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

Direct Parent

Flavonoid O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-3p-o-glucuronide - 3-sulfated flavonoid - Flavone - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Chromone - Glycosyl compound - O-glycosyl compound - Phenylsulfate - Arylsulfate - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Pyranone - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Oxane - Pyran - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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