Compound Identification
SMILES
COC(=O)CCC(=O)OCC1=CC=C(C=C1)C(=O)CCC(=O)OC
InChIKey
InChIKey=QKTPUTZZUVXHID-UHFFFAOYSA-N
Formula
C17H20O7
Mass
336.34
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
Butyrophenones Benzyloxycarbonyls Tricarboxylic acids and derivatives Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid methyl esters Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzyloxycarbonyl - Tricarboxylic acid or derivatives - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - 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