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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
-
Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
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
Short-chain hydroxy acids and derivatives Aralkylamines Monosaccharides Benzene and substituted derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives Quaternary ammonium salts Secondary alcohols 1,2-diols Alpha-aminonitriles Carboxylic acid salts Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic cations
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