| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:41 UTC |
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| Update Date | 2025-03-21 18:06:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061445 |
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| Frequency | 50.7 |
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| Structure | |
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| Chemical Formula | C16H23N5O8 |
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| Molecular Mass | 413.1547 |
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| SMILES | OCC1OC(CNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)C(O)C1O |
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| InChI Key | KMRQIKDYJZCJCL-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 | azacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | ethermonosaccharideimidazopyrimidinedialkyl etherpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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