| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:05 UTC |
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| Update Date | 2025-03-25 00:53:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199148 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H27N7O4 |
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| Molecular Mass | 453.2125 |
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| SMILES | CC(=O)N1CCN(c2ccc(OC3C(C)OC(n4cnc5c(N)ncnc54)C3O)cc2)CC1 |
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| InChI Key | NJXUZXITXCXPLP-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 | 5'-deoxyribonucleosides |
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| Subclass | 5'-deoxyribonucleosides |
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| Direct Parent | 5'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-arylpiperazinesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylpiperazinesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstertiary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietyamino acid or derivativesmonosaccharideimidazopyrimidinesaccharideorganonitrogen compoundaminophenyl etherorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundphenylpiperazinehydrocarbon derivativeprimary aminephenoxy compoundaminecarbonyl groupetheralkyl aryl ethercarboxylic acid derivativepyrimidineorganic oxidepiperazinearomatic heteropolycyclic compoundimidazoletertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganopnictogen compounddialkylarylamineimidolactamtertiary amineazolen-substituted imidazole5'-deoxyribonucleosidetetrahydrofurananiline or substituted anilinescarboxamide groupoxacycleorganic oxygen compound1,4-diazinanesecondary alcoholbenzenoidpurineorganic nitrogen compoundn-arylpiperazineorganooxygen compound |
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