| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:41 UTC |
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| Update Date | 2025-03-21 18:00:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025919 |
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| Frequency | 148.4 |
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| Structure | |
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| Chemical Formula | C12H16N4O6 |
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| Molecular Mass | 312.107 |
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| SMILES | Cn1c(=O)c2c(ncn2C)n(C2OC(CO)C(O)C2O)c1=O |
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| InChI Key | CTIITLSBBFFWBP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purinones |
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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 alcoholspyrimidonessecondary alcoholstetrahydrofuransureasvinylogous amides |
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| Substituents | lactammonosaccharidepyrimidonepurinonepyrimidineureasaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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