| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:08 UTC |
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| Update Date | 2025-03-21 18:41:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136655 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C8H5N5O |
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| Molecular Mass | 187.0494 |
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| SMILES | N#Cc1cnc2nc(N)[nH]c(=O)c2c1 |
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| InChI Key | DUJHJVDQHQLVOX-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 derivativeslactamsnitrilesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridines and derivativespyrimidones |
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| Substituents | nitrilelactamazacyclepolyhalopyridineheteroaromatic compoundpyrimidonepyrimidineorganic oxidepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundaminecarbonitrileorganooxygen compound |
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