Compound Identification
SMILES
OC(=O)\C=C/C([O-])=O.O=C(C[NH+]1CCOCC1)C1=CC=C(C=C1)C1CCCC1
InChIKey
InChIKey=ZRQRVRYDAWYSMR-BTJKTKAUSA-N
Formula
C21H27NO6
Mass
389.448
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
Aryl alkyl ketones Benzoyl derivatives Unsaturated fatty acids Morpholines Dicarboxylic acids and derivatives Quaternary ammonium salts Alpha-amino ketones Trialkylamines Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Morpholine - Fatty acyl - Fatty acid - Oxazinane - Benzenoid - Unsaturated fatty acid - Alpha-aminoketone - Quaternary ammonium salt - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Amine - Aromatic heteromonocyclic 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