| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:50 UTC |
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| Update Date | 2025-03-21 18:36:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112365 |
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| Frequency | 37.3 |
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| Structure | |
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| Chemical Formula | C10H11ClN4O5 |
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| Molecular Mass | 302.0418 |
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| SMILES | OCC1OC(n2cnc3c(O)nc(Cl)nc32)C(O)C1O |
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| InChI Key | NDSPCQCIHGSYAS-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 | 2-halopyrimidinesaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | 2-halopyrimidineorganochloridemonosaccharidehydroxypyrimidineimidazopyrimidineorganohalogen compoundpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolearyl chloridealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundhalopyrimidinearyl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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