Compound Identification
SMILES
CC(C)(C)C(=O)OC1=C(O)C=CC(C(O)CN)=C1C(=O)C(C)(C)C
InChIKey
InChIKey=NJXLTCBAYQTSHH-UHFFFAOYSA-N
Formula
C18H27NO5
Mass
337.416
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
Phenol esters Phenylpropanes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Aromatic alcohols Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ester - Phenylpropane - Benzoyl - Phenoxy compound - Aryl alkyl ketone - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Alcohol - Primary amine - Aromatic alcohol - Hydrocarbon derivative - Amine - Organonitrogen 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