| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:44 UTC |
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| Update Date | 2025-03-21 18:06:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066294 |
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| Frequency | 52.6 |
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| Structure | |
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| Chemical Formula | C17H17F2N3O5S |
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| Molecular Mass | 413.0857 |
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| SMILES | COc1cc2nc(S(=O)Cc3nccc(OC)c3OC)[nH]c2cc1OC(F)F |
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| InChI Key | BQVXGSRXVUXJPR-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 fluoridesanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxides |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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