| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:01 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160243 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4F3N5O |
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| Molecular Mass | 219.0368 |
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| SMILES | Nc1nc(C(F)(F)F)nc2[nH]c(=O)[nH]c12 |
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| InChI Key | JLCGNWHJJDMLEM-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | organohalogen compoundpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamazolecarbonic acid derivativeazacyclealkyl fluorideorganofluorideheteroaromatic compoundorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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