| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:12 UTC |
|---|
| Update Date | 2025-03-25 00:45:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02149259 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H26NO2+ |
|---|
| Molecular Mass | 264.1958 |
|---|
| SMILES | CC(C)(C)C(C[N+](C)(C)C)OC(=O)c1ccccc1 |
|---|
| InChI Key | KREZLZHOOGWJKA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
|---|
| Substituents | tetraalkylammonium saltquaternary ammonium saltbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
|---|
