Compound Identification
SMILES
CC(C(O)=O)C1=CC=C(C=C1)C1C(=NNC(C)=C1C(O)=O)C(O)=O
InChIKey
InChIKey=DQWCKCSYHUVOJT-UHFFFAOYSA-N
Formula
C16H16N2O6
Mass
332.312
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
Monocyclic monoterpenoids Aromatic monoterpenoids Tricarboxylic acids and derivatives Pyridazines and derivatives Benzene and substituted derivatives Vinylogous amides Hydrazones Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Tricarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyridazine - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic 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