Structure Information
Structure

Compound Identification

SMILES

CNCC\C=C\C1=CN=CC=C1.O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O

InChIKey

InChIKey=CXHBEUKBZCMSIP-DKVWOUKWSA-N

Formula

C16H24N2O8

Mass

372.374

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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

Not available

Substituents

Glucuronic acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Hydroxy acid - Pyridine - Monosaccharide - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Organic nitrogen compound - Alcohol - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Aromatic 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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