Compound Identification
SMILES
OC(=O)CC(=O)C(CC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=AZNLCPMTUWGDAE-UHFFFAOYSA-N
Formula
C12H12O5
Mass
236.223
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Medium-chain keto acids and derivatives Branched fatty acids Beta-keto acids and derivatives Dicarboxylic acids and derivatives Beta-hydroxy ketones Benzene and substituted derivatives 1,3-dicarbonyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Medium-chain keto acid - Beta-keto acid - Branched fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Keto acid - Ketone - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available