| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:53 UTC |
|---|
| Update Date | 2025-03-25 00:50:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180545 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H23N2O3+ |
|---|
| Molecular Mass | 291.1703 |
|---|
| SMILES | C[N+](C)(C)CC(O)COC(=O)Cc1c[nH]c2ccccc12 |
|---|
| InChI Key | JKBGTZDKROTPEB-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 | 1,2-aminoalcoholsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscholinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolessecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | carbonyl groupindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium saltazacycle1,2-aminoalcoholquaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcholinecarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
