| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:31 UTC |
|---|
| Update Date | 2025-03-21 18:36:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109203 |
|---|
| Frequency | 24.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H22N2O3 |
|---|
| Molecular Mass | 266.163 |
|---|
| SMILES | COc1cc(CNC(=O)C(N)CC(C)C)ccc1O |
|---|
| InChI Key | JSTDEQOGCVCGLK-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 | leucine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupmethoxybenzenen-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
