Compound Identification
SMILES
CCC(O)C(C)C=CC=CC(=O)C(C)C(O)=O
InChIKey
InChIKey=BMTLPJXRTRRHHH-UHFFFAOYSA-N
Formula
C13H20O4
Mass
240.299
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
b'-hydroxy-alpha,beta-unsaturated ketones Methyl-branched fatty acids Hydroxy fatty acids Beta-keto acids and derivatives Unsaturated fatty acids Beta-hydroxy ketones 1,3-dicarbonyl compounds Enones Acryloyl compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Beta-keto acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - B'-hydroxy-alpha,beta-unsaturated-ketone - Fatty acyl - 1,3-dicarbonyl compound - Unsaturated fatty acid - Beta-hydroxy ketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic 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