| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:16 UTC |
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| Update Date | 2025-03-21 18:30:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082028 |
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| Frequency | 35.3 |
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| Structure | |
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| Chemical Formula | C15H13FN2O2S |
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| Molecular Mass | 304.0682 |
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| SMILES | COc1ccc2nc(S(=O)Cc3ccc(F)cc3)[nH]c2c1 |
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| InChI Key | ITLIKLFMFXHCKO-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 aryl ethersanisolesaryl fluoridesazacyclic compoundsbenzyl sulfoxidesfluorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxides |
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| Substituents | aryl fluoridephenol ethermonocyclic benzene moietyetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundfluorobenzeneorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleorganofluorideheteroaromatic compoundaryl halideorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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