| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:22 UTC |
|---|
| Update Date | 2025-03-21 18:34:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098951 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5NO4S |
|---|
| Molecular Mass | 210.9939 |
|---|
| SMILES | O=C(O)C1=NS(=O)(=O)c2ccccc21 |
|---|
| InChI Key | WKUZZDQCWQWCNW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidazacyclecarboxylic acid derivative1,2-benzothiazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
