Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)[C@H](O[C@@H]2N=C(C3=CC=CC=C3Cl)C3=C(NC2=O)C=CC(Cl)=C3)O[C@@H]([C@H]1O)C(O)=O

InChIKey

InChIKey=IWOJSSFCRQKNKN-ZPZURBKOSA-N

Formula

C21H18Cl2N2O8

Mass

497.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides

Direct Parent

O-glucuronides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Benzodiazepine - 1,4-benzodiazepine - Glycosyl compound - Alpha-amino acid or derivatives - Beta-hydroxy acid - Halobenzene - Chlorobenzene - Aryl chloride - Hydroxy acid - Pyran - Monosaccharide - Oxane - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketimine - Lactam - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Imine - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.

External Descriptors

Not available

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