| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:09 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7N5O |
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| Molecular Mass | 177.0651 |
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| SMILES | Nc1cc2c(N)ncnc2c(=O)[nH]1 |
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| InChI Key | KDKXZAWIIDVYBZ-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[3,4-d]pyrimidines |
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| Direct Parent | pyrido[3,4-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridines and derivativespyridinonespyrimidines and pyrimidine derivatives |
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| Substituents | pyrido[3,4-d]pyrimidinelactamazacyclepolyhalopyridineheteroaromatic compoundpyrimidineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactampyridinoneamineorganooxygen compound |
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