| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:06 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224661 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N5O |
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| Molecular Mass | 191.0807 |
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| SMILES | NCc1cc(=O)[nH]c2ncnc(N)c12 |
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| InChI Key | JBZAHAZPNCSWQX-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 | pyridopyrimidines |
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| Subclass | pyrido[2,3-d]pyrimidines |
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| Direct Parent | pyrido[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonoalkylaminesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinonespyrimidines and pyrimidine derivatives |
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| Substituents | lactamazacyclepolyhalopyridineheteroaromatic compoundpyrimidineorganic oxidepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineprimary amine2-halopyridineorganic nitrogen compoundimidolactampyridinoneamineorganooxygen compound |
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