| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:37 UTC |
|---|
| Update Date | 2025-03-25 00:56:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218953 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O5 |
|---|
| Molecular Mass | 280.1059 |
|---|
| SMILES | COc1ccc(CC(=O)NC(CC(N)=O)C(=O)O)cc1 |
|---|
| InChI Key | BGYILCZKHVMBRH-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 | asparagine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessecondary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amidealkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesphenylacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
