| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:32 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16F3N5O5S |
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| Molecular Mass | 423.0824 |
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| SMILES | Nc1ncnc2c(SCCC(F)(F)F)nc(=O)n(C3OC(CO)C(O)C3O)c12 |
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| InChI Key | FKHATFKWVKPLQJ-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharidepyrimidonealkylarylthioetherorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluorideheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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