| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:34 UTC |
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| Update Date | 2025-03-21 18:33:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096978 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C16H16ClN5O4 |
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| Molecular Mass | 377.0891 |
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| SMILES | OCC1OC(n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)C(O)C1O |
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| InChI Key | APOGEYLZKDMMGQ-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 | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganochloridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary aminestetrahydrofurans |
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| Substituents | monocyclic benzene moietyorganochloridemonosaccharideimidazopyrimidineorganohalogen compoundpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzenealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundsecondary aminearyl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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