| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:56:02 UTC |
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| Update Date | 2025-03-21 18:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00195051 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C8H8F3N5OS |
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| Molecular Mass | 279.0402 |
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| SMILES | Nc1nc2nc(SCCC(F)(F)F)[nH]c2c(=O)[nH]1 |
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| InChI Key | CMQKDBBSWXCDGH-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidonessulfenyl compounds |
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| Substituents | lactampyrimidonealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazolesulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundthioetherhypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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