| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:39 UTC |
|---|
| Update Date | 2025-03-21 18:06:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00061363 |
|---|
| Frequency | 50.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12N2O2S |
|---|
| Molecular Mass | 236.0619 |
|---|
| SMILES | Cc1cc2nc(SCC(=O)O)[nH]c2cc1C |
|---|
| InChI Key | CRJORIIWBSOFIP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | benzimidazoles |
|---|
| Direct Parent | benzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
