| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:58 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088342 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C18H21N5O6 |
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| Molecular Mass | 403.1492 |
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| SMILES | COc1cc(CNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)ccc1O |
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| InChI Key | VOSIFZUHQCWGLR-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmethoxybenzenesmethoxyphenolsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharideimidazopyrimidinealkyl aryl etherpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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