Compound Identification
SMILES
COC(=O)C1=CC=C(\C=C\C(=O)OCC(=O)C2=C(OC)C=CC(OC)=C2)C=C1
InChIKey
InChIKey=OAXIYCKGCFVUAB-IZZDOVSWSA-N
Formula
C21H20O7
Mass
384.384
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
Cinnamic acid esters Benzoic acid esters Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid or derivatives - Cinnamic acid ester - Benzoate ester - P-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Anisole - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - 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