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Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C([O-])=O.O=C(C[NH+]1CCOCC1)C1=CC=C(C=C1)C1CCCC1

InChIKey

InChIKey=ZRQRVRYDAWYSMR-BTJKTKAUSA-N

Formula

C21H27NO6

Mass

389.448

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Not available

Substituents

Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Morpholine - Fatty acyl - Fatty acid - Oxazinane - Benzenoid - Unsaturated fatty acid - Alpha-aminoketone - Quaternary ammonium salt - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Oxacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Amine - Aromatic heteromonocyclic 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

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