| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:03 UTC |
|---|
| Update Date | 2025-03-21 18:28:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00071864 |
|---|
| Frequency | 41.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H19NO3 |
|---|
| Molecular Mass | 249.1365 |
|---|
| SMILES | COC(=O)C(NC(=O)Cc1ccccc1)C(C)C |
|---|
| InChI Key | ZZNZSKXSTUYDIW-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 | alpha amino acid estersalpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidesvaline and derivatives |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouporganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidealpha-amino acid estern-acyl-alpha-amino acidvaline or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
