| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:07 UTC |
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| Update Date | 2025-03-21 18:00:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029282 |
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| Frequency | 172.8 |
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| Structure | |
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| Chemical Formula | C10H12N4O4 |
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| Molecular Mass | 252.0859 |
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| SMILES | Nc1nc2ncc(C(O)C(O)CO)cc2c(=O)[nH]1 |
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| InChI Key | NLQFTSFUPVOTBE-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-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary alcoholsprimary aminespyrimidonessecondary alcohols |
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| Substituents | aromatic alcohollactampolyhalopyridinepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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