| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:32 UTC |
|---|
| Update Date | 2025-03-21 17:56:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002723 |
|---|
| Frequency | 2348.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N2O3 |
|---|
| Molecular Mass | 208.0848 |
|---|
| SMILES | NC(=O)NC(Cc1ccccc1)C(=O)O |
|---|
| InChI Key | IPWQOZCSQLTKOI-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 derivativesmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acid3-phenylpropanoic-acidn-carbamoyl-alpha-amino acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundn-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
|---|
