Structure Information
Structure

Compound Identification

SMILES

O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O.CCOC1=CN=CC(\C=C\CCNC)=C1

InChIKey

InChIKey=DXIJSFBMOKQESU-SJHRKOELSA-N

Formula

C18H28N2O9

Mass

416.427

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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 - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy fatty acid - Alpha-hydroxy acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Pyridine - Hydroxy acid - Monosaccharide - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Secondary amine - Polyol - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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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