Structure Information
Structure

Compound Identification

SMILES

[NH3+]C1CCCCC1.O[C@H]1C(O)[C@H](OC2=CNC3=C2C=C(Br)C=C3)OC([C@H]1O)C([O-])=O

InChIKey

InChIKey=LKAVZDZYVBJWCJ-OBDHENPMSA-N

Formula

C20H27BrN2O7

Mass

487.347

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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

Not available

Substituents

O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Beta-hydroxy acid - Cyclohexylamine - Hydroxy acid - Benzenoid - Aryl halide - Substituted pyrrole - Aryl bromide - Pyran - Monosaccharide - Oxane - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organobromide - Alcohol - Hydrocarbon derivative - Primary aliphatic amine - Primary amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organic cation - 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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