| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:56 UTC |
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| Update Date | 2025-03-21 18:28:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071577 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C12H16N4O7 |
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| Molecular Mass | 328.1019 |
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| SMILES | Cn1c(=O)[nH]c2c(c1=O)n(C)c(=O)n2C1OC(CO)C(O)C1O |
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| InChI Key | NTBQINIBLMBYCB-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurinonespyrimidonessecondary alcoholstetrahydrofuransureasvinylogous amides |
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| Substituents | lactammonosaccharidepyrimidoneimidazopyrimidinepurinonepyrimidineureasaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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