| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:23:01 UTC |
|---|
| Update Date | 2025-03-25 01:02:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02253944 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H19NO4 |
|---|
| Molecular Mass | 277.1314 |
|---|
| SMILES | CC(C)CC(O)C(=O)NC(=Cc1ccccc1)C(=O)O |
|---|
| InChI Key | NEOBTRZLCRJMQD-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 acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscinnamic acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
