Compound Identification
SMILES
COC(=O)C(C(=O)C(=O)OC)C1=CC=CC=C1
InChIKey
InChIKey=USTNPGQRYKXZDL-UHFFFAOYSA-N
Formula
C12H12O5
Mass
236.223
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
Fatty acid esters Beta-keto acids and derivatives Dicarboxylic acids and derivatives Alpha-keto acids and derivatives 1,3-dicarbonyl compounds Methyl esters Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - Beta-keto acid - Fatty acid ester - Alpha-keto acid - Dicarboxylic acid or derivatives - Fatty acyl - 1,3-dicarbonyl compound - Keto acid - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - 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