| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:23 UTC |
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| Update Date | 2025-03-25 00:54:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204435 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15F3N4O4S |
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| Molecular Mass | 380.0766 |
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| SMILES | OCC1OC(n2c(SCCC(F)(F)F)nc3c(O)ncnc32)CC1O |
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| InChI Key | OWICKLIIFZDAIK-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 2'-deoxyribonucleosides |
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| Direct Parent | purine 2'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesn-substituted imidazolesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharidehydroxypyrimidineimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholpurine 2'-deoxyribonucleosideorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluorideheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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