Compound Identification
SMILES
COC(=O)CCC(=O)C1=C(OC)C(OC)=C(OC)C=C1CCC(OC(C)=O)C=C
InChIKey
InChIKey=UJLRJLVPRTVUTM-UHFFFAOYSA-N
Formula
C21H28O8
Mass
408.447
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 Phenoxy compounds Methoxybenzenes Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Anisoles Fatty acid methyl esters Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Gamma-keto acid - Benzoyl - Anisole - Fatty acid methyl ester - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Keto acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - 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