| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:59 UTC |
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| Update Date | 2025-03-25 00:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N4O7 |
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| Molecular Mass | 354.1175 |
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| SMILES | CC(OC1C(CO)OC(n2cnc3c(=O)n(C)cnc32)C1O)C(=O)O |
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| InChI Key | QTGJNEZWQSFSRA-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 compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupetherlactamcarboxylic acidmonosaccharidepyrimidoneimidazopyrimidinecarboxylic acid derivativedialkyl etherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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