| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:27 UTC |
|---|
| Update Date | 2025-03-21 18:28:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072820 |
|---|
| Frequency | 41.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O3 |
|---|
| Molecular Mass | 222.1004 |
|---|
| SMILES | COc1ccc(NC(=O)CNC(C)=O)cc1 |
|---|
| InChI Key | HAAXBXRRDNCDPX-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalkyl aryl ethersalpha amino acid amidesalpha amino acidsanilidesanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethern-arylamidealkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
