| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:13 UTC |
|---|
| Update Date | 2025-03-25 00:56:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220384 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16NO+ |
|---|
| Molecular Mass | 178.1226 |
|---|
| SMILES | C[N+](C)(C)C1OCc2ccccc21 |
|---|
| InChI Key | NEZJYDRGTLRGOD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isocoumarans |
|---|
| Subclass | isocoumarans |
|---|
| Direct Parent | isocoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzenoidshydrocarbon derivativesorganic cationsorganic saltsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstetraalkylammonium salts |
|---|
| Substituents | tetraalkylammonium saltoxacycleisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
|---|
