Compound Identification
SMILES
[Na+].CCC(CC#C)(C(=O)C([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=SXQXFQYMSIRDLH-UHFFFAOYSA-M
Formula
C14H13NaO3
Mass
252.245
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Phenylpropanoic acids Phenylpropanes Medium-chain keto acids and derivatives Unsaturated fatty acids Alpha-keto acids and derivatives Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - 3-phenylpropanoic-acid - Medium-chain keto acid - Phenylpropane - Alpha-keto acid - Keto acid - Unsaturated fatty acid - Fatty acyl - Ketone - Carboxylic acid salt - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available