| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:25 UTC |
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| Update Date | 2025-03-21 18:07:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067928 |
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| Frequency | 44.7 |
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| Structure | |
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| Chemical Formula | C14H11F2N3O3S |
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| Molecular Mass | 339.0489 |
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| SMILES | O=S(=O)(Cc1ccccn1)c1nc2ccc(OC(F)F)cc2[nH]1 |
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| InChI Key | XGWCJEWWGVDASD-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 fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol etherspyridines and derivativessulfones |
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| Substituents | phenol ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridineazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundsulfonylpyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfone |
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