| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:45 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253360 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6F3N5O |
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| Molecular Mass | 233.0524 |
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| SMILES | Nc1nc2c(ncn2CC(F)(F)F)c(=O)[nH]1 |
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| InChI Key | BMIJTLXMZDIUIP-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 fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidonesvinylogous amides |
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| Substituents | lactampyrimidoneorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideazolen-substituted imidazolevinylogous amideazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundhypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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