Compound Identification
SMILES
CC(=O)NC(CCC(=O)C1=CC=C(F)C=C1)(C(O)=O)C(O)=O
InChIKey
InChIKey=OISFDVAPZRYQLH-UHFFFAOYSA-N
Formula
C14H14FNO6
Mass
311.265
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
-
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
N-acyl-L-alpha-amino acids Phenylbutylamines Butyrophenones Aryl alkyl ketones Benzoyl derivatives Medium-chain fatty acids Branched fatty acids Fluorobenzenes Halogenated fatty acids Aryl fluorides Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acids Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Butyrophenone - Phenylbutylamine - Alpha-amino acid or derivatives - Aryl alkyl ketone - Medium-chain fatty acid - Benzoyl - Fluorobenzene - Halobenzene - Halogenated fatty acid - Branched fatty acid - Aryl fluoride - Benzenoid - Fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - 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