| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:13 UTC |
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| Update Date | 2025-03-21 18:06:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065050 |
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| Frequency | 47.2 |
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| Structure | |
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| Chemical Formula | C16H14F2N2O2S |
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| Molecular Mass | 336.0744 |
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| SMILES | Cc1ccc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)cc1 |
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| InChI Key | JIYZWWDLRFKKKE-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 compoundsbenzyl sulfoxidesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenol etherssulfinyl compoundssulfoxidestoluenes |
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| Substituents | phenol ethermonocyclic benzene moietysulfinylbenzimidazoleorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundbenzyl sulfoxidesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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