| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:57 UTC |
|---|
| Update Date | 2025-03-21 18:38:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00119885 |
|---|
| Frequency | 21.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15NO6 |
|---|
| Molecular Mass | 293.0899 |
|---|
| SMILES | O=C(O)CCC(=NC(Cc1ccccc1)C(=O)O)C(=O)O |
|---|
| InChI Key | LUIUVUYTVOYONR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestricarboxylic acids and derivatives |
|---|
| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
