Compound Identification
SMILES
CCCCC(O)(CC(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=MUETUGGWZBQYCH-UHFFFAOYSA-N
Formula
C13H18O3
Mass
222.284
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 hydroxy acids and derivatives Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Benzene and substituted derivatives Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic alcohol - Alcohol - 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