| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:16 UTC |
|---|
| Update Date | 2025-03-21 18:28:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074789 |
|---|
| Frequency | 39.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20NO+ |
|---|
| Molecular Mass | 194.1539 |
|---|
| SMILES | C[N+](C)(C)CC(O)Cc1ccccc1 |
|---|
| InChI Key | XFASWXNTTQASMS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | quaternary ammonium salts |
|---|
| Direct Parent | cholines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsaminesbenzene and substituted derivativeshydrocarbon derivativesorganic cationsorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
|---|
| Substituents | alcoholmonocyclic benzene moietytetraalkylammonium salt1,2-aminoalcoholaromatic homomonocyclic compoundorganic oxygen compoundcholinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic cationorganic saltamineorganooxygen compound |
|---|
