Compound Identification
SMILES
CCC1=CC2=C(C=C1)C(COC(=O)CCC(=O)C1=CC=CC=C1)=CC(=O)O2
InChIKey
InChIKey=XXMQKKYLGJABPP-UHFFFAOYSA-N
Formula
C22H20O5
Mass
364.397
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
Coumarins and derivatives Butyrophenones 1-benzopyrans Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Pyranones and derivatives Fatty acid esters Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Coumarin - Butyrophenone - Benzopyran - 1-benzopyran - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Fatty acid ester - Pyranone - Monocyclic benzene moiety - Fatty acyl - Keto acid - Pyran - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - 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