Compound Identification
SMILES
CC1=CC=CC=C1OC(=O)CC(C1=CC(O)=C(O)C=C1)C(C)(NN)C(O)=O
InChIKey
InChIKey=ZTBIOCMBFLOFTA-UHFFFAOYSA-N
Formula
C19H22N2O6
Mass
374.393
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
Phenol esters Alpha amino acids and derivatives Phenylpropanes Phenoxy compounds Catechols Toluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Alkylhydrazines Carboxylic acids Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Phenol ester - Phenylpropane - Phenoxy compound - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Alkylhydrazine - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Hydrazine derivative - Organonitrogen 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