Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)C(OC2=CNC3=C2C(Cl)=C(Br)C=C3)O[C@@H]([C@H]1O)C(O)=O

InChIKey

InChIKey=DHJFFLKPAYHPHU-ZAOAHOKWSA-N

Formula

C14H13BrClNO7

Mass

422.61

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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 - Glycosyl compound - Indole or derivatives - Indole - Beta-hydroxy acid - Aryl bromide - Aryl chloride - Benzenoid - Substituted pyrrole - Hydroxy acid - Pyran - Oxane - Monosaccharide - Aryl halide - Pyrrole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organochloride - Organobromide - 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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