| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:40 UTC |
|---|
| Update Date | 2025-03-21 18:03:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044967 |
|---|
| Frequency | 82.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17N3O3S |
|---|
| Molecular Mass | 331.0991 |
|---|
| SMILES | COc1ccc2nc(S(=O)Cc3ncc(C)c(O)c3C)[nH]c2c1 |
|---|
| InChI Key | VSOAYQZFYNZNKR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
|---|
| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
