| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:35 UTC |
|---|
| Update Date | 2025-03-21 18:31:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085109 |
|---|
| Frequency | 33.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21N2O2+ |
|---|
| Molecular Mass | 261.1598 |
|---|
| SMILES | C[N+](C)(C)CCOC(=O)Cc1c[nH]c2ccccc12 |
|---|
| InChI Key | VHRDVPHKFGKKGR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acyl cholinesaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
|---|
| Substituents | carbonyl groupindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrroleacyl cholinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
