| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:49 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253509 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11N5O |
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| Molecular Mass | 253.0964 |
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| SMILES | Nc1nc(N)c2cc(-c3ccccc3)c(O)nc2n1 |
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| InChI Key | LFAUJMBIYCSYQV-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 compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | monocyclic benzene moietyazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyrimidinepyridinepyrido[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amine2-halopyridineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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