| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:26 UTC |
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| Update Date | 2025-03-25 00:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236565 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22N6O5 |
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| Molecular Mass | 438.1652 |
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| SMILES | COc1ccc2nccc(CNc3ncnc4c3ncn4C3OC(CO)C(O)C3O)c2c1 |
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| InChI Key | RHMAUMKXHQACPO-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidolactamsmethylpyridinesmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativesquinolines and derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | phenol etheretherpolyhalopyridinemonosaccharideimidazopyrimidinealkyl aryl etherpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminesecondary aliphatic/aromatic amineoxacyclepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundorganooxygen compoundamine |
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