Compound Identification
SMILES
CC(C(=O)C(C)(C)C)C(=O)C(C)(C)C(O)=O
InChIKey
InChIKey=WMNHLPNABSAQSE-UHFFFAOYSA-N
Formula
C12H20O4
Mass
228.288
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
Methyl-branched fatty acids Beta-keto acids and derivatives Beta-diketones Beta-hydroxy ketones 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 - 1,3-diketone - Methyl-branched fatty acid - Beta-hydroxy ketone - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - 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