Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@@H](OC(=O)NCCC2=CN(C3=CC=CC=C23)S(=O)(=O)C2=C(Cl)N=C3SC=CN23)O[C@H]([C@@H]1O)C(O)=O

InChIKey

InChIKey=LRSFBSBUEGEYOX-SGWZHLPASA-N

Formula

C22H21ClN4O10S2

Mass

601.0

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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

1-o-glucuronide - O-glucuronide - Hexose monosaccharide - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Aryl chloride - Aryl halide - Hydroxy acid - Monosaccharide - Benzenoid - N-substituted imidazole - Oxane - Pyran - Substituted pyrrole - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Secondary alcohol - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Polyol - Carboxylic acid - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen 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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