Compound Identification
SMILES
COC(=O)C(=O)C=C(O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=WZWQAWMZYSJXRA-UHFFFAOYSA-N
Formula
C12H12O5
Mass
236.223
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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Fatty acid esters Alpha-keto acids and derivatives Vinylogous acids Acryloyl compounds Methyl esters Enones Ketones Monocarboxylic acids and derivatives Enols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Styrene - Fatty acid ester - Alkyl aryl ether - Keto acid - Alpha-keto acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enol - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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