Structure Information
Structure

Compound Identification

SMILES

[NH3+]C(C#N)C1=CC=CC=C1.OC(C(O)C([O-])=O)C([O-])=O

InChIKey

InChIKey=LSYJGKKJDWEJES-UHFFFAOYSA-M

Formula

C12H13N2O6

Mass

281.245

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Subclass

Beta hydroxy acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Beta-hydroxy acid - Aralkylamine - Short-chain hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Monosaccharide - Quaternary ammonium salt - 1,2-diol - Alpha-aminonitrile - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

External Descriptors

Not available

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