| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:01 UTC |
|---|
| Update Date | 2025-03-21 18:07:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069384 |
|---|
| Frequency | 43.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N2O4 |
|---|
| Molecular Mass | 266.1267 |
|---|
| SMILES | COc1ccc(CC(N)C(=O)NC(C)C(=O)O)cc1 |
|---|
| InChI Key | CUHTVWKLVHTKJC-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 | dipeptides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alanine and derivativesalkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativessecondary carboxylic acid amides |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amidealpha-amino acid or derivativesalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidmethoxylated amphetaminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolealanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
