| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:33 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7F3N4O2S |
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| Molecular Mass | 292.0242 |
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| SMILES | O=c1[nH]c(=O)c2nc(SCCC(F)(F)F)ncc2[nH]1 |
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| InChI Key | RWGYLAFBRLWCOT-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 derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonessulfenyl compoundsvinylogous amides |
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| Substituents | lactampyrimidonealkylarylthioetherorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halideorganoheterocyclic compoundvinylogous amidecarbonic acid derivativesulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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