| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:24 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14F3N5O2S2 |
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| Molecular Mass | 381.0541 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2[nH]c(=O)[nH]c(=O)c12 |
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| InChI Key | XUTUGCNVQUBDLU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundspyrimidonessecondary alkylarylaminessulfenyl compoundsvinylogous amides |
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| Substituents | lactampyrimidonealkylarylthioetherorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundvinylogous amidecarbonic acid derivativesulfenyl compoundazacyclealkyl fluorideorganofluoridedialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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