| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:29 UTC |
|---|
| Update Date | 2025-03-25 00:46:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156868 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5NO5S |
|---|
| Molecular Mass | 226.9888 |
|---|
| SMILES | O=C(O)c1cccc2c1C(O)=NS2(=O)=O |
|---|
| InChI Key | YEEJPWQLQWYLRG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
|---|
| Substituents | organosulfonic acid or derivativescarboxylic acidazacyclecarboxylic acid derivative1,2-benzothiazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganooxygen compound |
|---|
