| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:22 UTC |
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| Update Date | 2025-03-21 18:06:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065387 |
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| Frequency | 97.3 |
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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 | Nc1nc2nccc(N)c2c(=O)[nH]1 |
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| InChI Key | GBHQLEMTNWQQGR-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 derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridines and derivativespyrimidonesvinylogous amides |
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| Substituents | vinylogous amidelactamazacyclepolyhalopyridineheteroaromatic compoundpyrimidonepyrimidineorganic oxidepyridinepyrido[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundamineorganooxygen compound |
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