Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OC1(CC#N)CC=CC=C1

InChIKey

InChIKey=FKWCTVYTYGPTDF-RJXOAYJSSA-N

Formula

C14H17NO7

Mass

311.29

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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

Direct Parent

Glucuronic acid derivatives

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Glucuronic acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - 1,2-diol - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Polyol - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Alcohol - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

External Descriptors

Not available

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