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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Level 5
Hydroxycinnamic acid esters
- Level 6 Coumaric acid esters
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Level 5
Hydroxycinnamic acid esters
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
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
Coumaric acids and derivatives Cinnamic acid esters Acyl cholines Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Enoate esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
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