Compound Identification
SMILES
OC(=O)CCC(=O)C=CC1=CC=CC=C1C(O)=O
InChIKey
InChIKey=NJSXBSWVUIZRLZ-UHFFFAOYSA-N
Formula
C13H12O5
Mass
248.234
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 Benzoic acids Styrenes Gamma-keto acids and derivatives Benzoyl derivatives Unsaturated fatty acids Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Medium-chain keto acid - Benzoyl - Gamma-keto acid - Styrene - Monocyclic benzene moiety - Fatty acyl - Keto acid - Benzenoid - Unsaturated fatty acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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