Compound Identification
SMILES
CC(=O)C1=C(O)C(=CC=C1)C(O)=O.CCCCCCCCNC(=O)CCC(O)=O
InChIKey
InChIKey=KSLSCSIBSQNJGA-UHFFFAOYSA-N
Formula
C21H31NO7
Mass
409.479
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Salicylic acids Benzoic acids Acetophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids Straight chain fatty acids N-acyl amines Vinylogous acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Acetophenone - Benzoic acid - Benzoic acid or derivatives - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - N-acyl-amine - Benzenoid - Straight chain fatty acid - Monocyclic benzene moiety - Fatty acid - Fatty acyl - Fatty amide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available