Structure Information
Structure

Compound Identification

SMILES

[Cl-].C[N+](C)(C)CCOC(=O)C=CC1=CC=C(O)C=C1

InChIKey

InChIKey=JYUCEUCWYFUAJW-UHFFFAOYSA-N

Formula

C14H20ClNO3

Mass

285.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Hydroxycinnamic acid esters

Direct Parent

Coumaric acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Acyl choline - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Choline - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.

External Descriptors

Not available

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