| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:43 UTC |
|---|
| Update Date | 2025-03-25 00:50:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182429 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5NO2S |
|---|
| Molecular Mass | 179.0041 |
|---|
| SMILES | O=Cn1c(=O)sc2ccccc21 |
|---|
| InChI Key | DVMXMAGMHDWKJR-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsthiazoles |
|---|
| Substituents | 1,3-benzothiazolecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundthiazoleorganooxygen compoundazole |
|---|
