| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:11 UTC |
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| Update Date | 2025-03-25 00:54:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203966 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15F3N4O6S |
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| Molecular Mass | 424.0664 |
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| SMILES | O=c1nc(SCCC(F)(F)F)c2ncnc(O)c2n1C1OC(CO)C(O)C1O |
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| InChI Key | MEWQRJITPQMOFG-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 derivativeshydroxypyrimidinesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharidepyrimidonehydroxypyrimidinealkylarylthioetherorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholorganoheterocyclic compoundalcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluorideheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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