| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:01 UTC |
|---|
| Update Date | 2025-03-21 18:01:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031393 |
|---|
| Frequency | 117.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H16F2N2O4S |
|---|
| Molecular Mass | 382.0799 |
|---|
| SMILES | COc1ccc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c(OC)c1 |
|---|
| InChI Key | KBFYNNPJBCQOGW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzimidazoles |
|---|
| Subclass | sulfinylbenzimidazoles |
|---|
| Direct Parent | sulfinylbenzimidazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl fluoridesanisolesazacyclic compoundsbenzyl sulfoxidesdimethoxybenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfinyl compoundssulfoxides |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compounddimethoxybenzeneorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethoxybenzeneorganic oxygen compoundm-dimethoxybenzenebenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
