Compound Identification
SMILES
NC(CC(C(C(O)=O)C(=O)CCC(O)=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=OHNYZVPEQBLONT-UHFFFAOYSA-N
Formula
C16H19NO7
Mass
337.328
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
Alpha amino acids Tricarboxylic acids and derivatives Gamma-keto acids and derivatives Beta-keto acids and derivatives Aralkylamines Amino fatty acids Beta-hydroxy ketones Benzene and substituted derivatives 1,3-dicarbonyl compounds Amino acids Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Gamma-keto acid - Amino fatty acid - Beta-keto acid - Aralkylamine - Monocyclic benzene moiety - Beta-hydroxy ketone - Keto acid - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Ketone - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary aliphatic amine - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - 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