| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:03 UTC |
|---|
| Update Date | 2025-03-21 18:35:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108032 |
|---|
| Frequency | 24.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7NO3S |
|---|
| Molecular Mass | 185.0147 |
|---|
| SMILES | O=S1(=O)NC(O)c2ccccc21 |
|---|
| InChI Key | NHDPCYURWQSMAC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkanolaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | organosulfonic acid or derivativesazacycle1,2-benzothiazoleorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundalkanolamine |
|---|
