| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:39 UTC |
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| Update Date | 2025-03-21 18:02:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037729 |
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| Frequency | 93.2 |
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| Structure | |
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| Chemical Formula | C15H13F2N3O3S |
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| Molecular Mass | 353.0646 |
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| SMILES | COc1cccnc1CS(=O)c1nc2ccc(OC(F)F)cc2[nH]1 |
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| InChI Key | XHYCBGQFFSSVNS-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 compoundssulfoxides |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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