| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:19 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7N7O |
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| Molecular Mass | 205.0712 |
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| SMILES | Nc1nc(N)c2cc(N=O)c(N)nc2n1 |
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| InChI Key | ZOZQBHYGFXMMKT-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 compoundsc-nitroso compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespropargyl-type 1,3-dipolar organic compoundspyridines and derivativespyrimidines and pyrimidine derivatives |
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| Substituents | organic nitroso compoundazacyclepolyhalopyridineheteroaromatic compoundorganic 1,3-dipolar compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepyridinepyrido[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundimidolactamamine |
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