Compound Identification
SMILES
CCOC(OCC)C(=O)C(CCCCC1=CC=CC=C1)C(=O)OC(C)C
InChIKey
InChIKey=AFVCCWNLZUFKSB-UHFFFAOYSA-N
Formula
C21H32O5
Mass
364.482
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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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 Monosaccharides Benzene and substituted derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Monosaccharide - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Aldehyde - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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