| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:10 UTC |
|---|
| Update Date | 2025-03-25 00:55:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02210925 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21NO3 |
|---|
| Molecular Mass | 263.1521 |
|---|
| SMILES | CC(=O)NC(Cc1cccc(C(C)C)c1C)C(=O)O |
|---|
| InChI Key | RTNCULPZVWYHIH-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanesphenylpropanoic acidssecondary carboxylic acid amidestoluenes |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumeneacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
|---|
