| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:54 UTC |
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| Update Date | 2025-03-21 18:04:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052571 |
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| Frequency | 70.9 |
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| Structure | |
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| Chemical Formula | C16H14F3N3O4S |
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| Molecular Mass | 401.0657 |
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| SMILES | COc1ccnc(CS(=O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1OC |
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| InChI Key | GLGBOUBCPCMBTN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | sulfinylbenzimidazoles |
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| Direct Parent | sulfinylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersalkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol etherspolyhalopyridinessulfinyl compoundssulfoxidestrihalomethanes |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineazolehalomethanetrihalomethaneazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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