| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:03 UTC |
|---|
| Update Date | 2025-03-25 00:46:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153620 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20NO3+ |
|---|
| Molecular Mass | 238.1438 |
|---|
| SMILES | COc1ccc(COC(=O)C[N+](C)(C)C)cc1 |
|---|
| InChI Key | XJCODNMTNJQFIA-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 | alpha amino acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha amino acidsaminesanisolesbenzyloxycarbonylscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
|---|
| Substituents | benzyloxycarbonylphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
