Compound Identification
SMILES
O[C@@H](CC(=O)CC(O)=O)C=C\C=C1/CCCCC2=CC=CC=C12
InChIKey
InChIKey=VJJLOBRGVMJRJJ-VPVYZBFGSA-N
Formula
C19H22O4
Mass
314.381
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Hydroxy fatty acids Beta-keto acids and derivatives Unsaturated fatty acids Beta-hydroxy ketones Benzenoids 1,3-dicarbonyl compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Medium-chain keto acid - Beta-keto acid - Hydroxy fatty acid - Beta-hydroxy ketone - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Unsaturated fatty acid - Secondary alcohol - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available