Compound Identification
SMILES
COC(=O)C(=O)C(C)C1=CC=C(C=C1)C1CCCCC1
InChIKey
InChIKey=JUDQQACKEFFYIQ-UHFFFAOYSA-N
Formula
C17H22O3
Mass
274.36
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
Monocyclic monoterpenoids Aromatic monoterpenoids Fatty acid esters Alpha-keto acids and derivatives Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Fatty acid ester - Alpha-keto acid - Fatty acyl - Keto acid - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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