Compound Identification
SMILES
COC(=O)C(\O)=C\C(=O)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=XBSRJGGJQWIXMP-GHYOLMRSSA-N
Formula
C13H12O4
Mass
232.235
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Fatty acid esters Vinylogous acids Methyl esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Acryloyl-group - Enone - Vinylogous acid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid ester - Enol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available