| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:25 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199907 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5N5O |
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| Molecular Mass | 163.0494 |
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| SMILES | Cn1cnc2ncnc(N=O)c21 |
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| InChI Key | BBBNBIRBDNCUBC-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 | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitroso compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidines and pyrimidine derivatives |
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| Substituents | organic nitroso compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativepurineorganic nitrogen compoundazolen-substituted imidazole |
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