| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:49 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5F3N4OS |
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| Molecular Mass | 250.0136 |
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| SMILES | O=c1[nH]c(SCC(F)(F)F)nc2nc[nH]c12 |
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| InChI Key | IJYOKOHYHRCLMI-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 oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compounds |
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| Substituents | lactampyrimidonealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazolesulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundthioetherhypoxanthinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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