| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:07 UTC |
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| Update Date | 2025-03-21 18:05:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060092 |
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| Frequency | 52.2 |
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| Structure | |
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| Chemical Formula | C14H11F2N3O2S |
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| Molecular Mass | 323.054 |
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| SMILES | O=S(Cc1cccnc1)c1nc2ccc(OC(F)F)cc2[nH]1 |
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| InChI Key | HIHUILKZRILJDT-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 | alkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol etherspyridines and derivativessulfinyl compoundssulfoxides |
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| Substituents | phenol ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundpyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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