| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:10 UTC |
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| Update Date | 2025-03-21 17:57:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006513 |
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| Frequency | 1788.6 |
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| Structure | |
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| Chemical Formula | C6H6N4O |
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| Molecular Mass | 150.0542 |
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| SMILES | Cn1cnc2c(=O)[nH]cnc21 |
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| InChI Key | PESGUQRDJASXOR-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonesvinylogous amides |
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| Substituents | vinylogous amidelactamazacycleheteroaromatic compoundpyrimidonepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhypoxanthinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolen-substituted imidazole |
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