Compound Identification
SMILES
CCC(=O)C(O)(CC)CC(=O)CC(=O)OCCOC
InChIKey
InChIKey=PVZKKXMKBRAJDS-UHFFFAOYSA-N
Formula
C13H22O6
Mass
274.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
-
Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Beta-hydroxy ketones Acyloins 1,3-dicarbonyl compounds Tertiary alcohols Alpha-hydroxy ketones Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Acyloin - Beta-hydroxy ketone - Fatty acyl - 1,3-dicarbonyl compound - Alpha-hydroxy ketone - Tertiary alcohol - Ketone - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available