Compound Identification
SMILES
COC(=O)CC(=O)CC(O)C1=CC=CC=C1
InChIKey
InChIKey=QNJDSGDMHFINPN-UHFFFAOYSA-N
Formula
C12H14O4
Mass
222.24
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 methyl esters Beta-hydroxy ketones Benzene and substituted derivatives 1,3-dicarbonyl compounds Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta-keto acid - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Beta-hydroxy ketone - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Methyl ester - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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