Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)[C@@](O)(Cl)[C@](Br)(O[C@H]1OC1=CNC2=CC=CC=C12)C([O-])=O

InChIKey

InChIKey=VLMOKRZATPITFD-XMKDAVRRSA-M

Formula

C14H12BrClNO7

Mass

421.6

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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 - Glycosyl compound - O-glycosyl compound - Indole - Indole or derivatives - Monosaccharide - Benzenoid - Substituted pyrrole - Pyran - Oxane - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Bromohydrin - Carboxylic acid salt - Chlorohydrin - Halohydrin - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Organonitrogen compound - Organic oxide - Alkyl bromide - Alkyl chloride - Alcohol - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organic anion - 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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