| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:55 UTC |
|---|
| Update Date | 2025-03-21 18:30:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083588 |
|---|
| Frequency | 34.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21N2O2+ |
|---|
| Molecular Mass | 261.1598 |
|---|
| SMILES | Cn1cc(CC(C(=O)O)[N+](C)(C)C)c2ccccc21 |
|---|
| InChI Key | FKNURTDDDJKKCT-UHFFFAOYSA-O |
|---|
| 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 acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-alkylindolesn-methylpyrrolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssubstituted pyrrolestetraalkylammonium salts |
|---|
| Substituents | carbonyl groupn-methylpyrrolen-alkylindolecarboxylic acidindolesubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
