Compound Identification
SMILES
OC(=O)C(=O)CC(=O)\C=C(/O)C1=CC=CC=C1
InChIKey
InChIKey=BDYCLRYAZUHBSX-POHAHGRESA-N
Formula
C12H10O5
Mass
234.207
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
Medium-chain keto acids and derivatives Styrenes 3-Acylpyruvic acids Hydroxy fatty acids Beta-diketones Unsaturated fatty acids Alpha-keto acids and derivatives Vinylogous acids Acryloyl compounds Enones Alpha-hydroxy ketones Monocarboxylic acids and derivatives Enols Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Medium-chain keto acid - 3-acylpyruvic acid - Gamma-keto acid - Styrene - 1,3-diketone - Hydroxy fatty acid - Alpha-keto acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Unsaturated fatty acid - Keto acid - Acryloyl-group - Alpha-hydroxy ketone - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Ketone - Enol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - 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