Compound Identification
SMILES
CC1=C(O)C=CC2=C1OC(=O)C=C2COC(=O)CCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=LEQAEUGVBVGMLK-UHFFFAOYSA-N
Formula
C21H18O6
Mass
366.369
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
7-hydroxycoumarins Butyrophenones 1-benzopyrans Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 7-hydroxycoumarin - Hydroxycoumarin - Coumarin - Butyrophenone - 1-benzopyran - Benzopyran - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Pyranone - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Keto acid - Monocyclic benzene moiety - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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