| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:11 UTC |
|---|
| Update Date | 2025-03-21 18:02:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00036596 |
|---|
| Frequency | 96.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO4S |
|---|
| Molecular Mass | 213.0096 |
|---|
| SMILES | COc1ccc2c(c1)S(=O)(=O)N=C2O |
|---|
| InChI Key | FGWXGHBHIOINCJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesetherazacyclealkyl aryl ether1,2-benzothiazoleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
