| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:58 UTC |
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| Update Date | 2025-03-21 18:03:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045678 |
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| Frequency | 73.6 |
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| Structure | |
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| Chemical Formula | C14H18F3N5O4S |
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| Molecular Mass | 409.1032 |
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| SMILES | CNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(CO)C(O)C1O |
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| InChI Key | CMIUFMQLZPOJBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganofluoridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharideimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridepurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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