| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:08 UTC |
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| Update Date | 2025-03-21 18:33:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098385 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C12H13N3O7 |
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| Molecular Mass | 311.0754 |
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| SMILES | O=c1nc(O)c2nc(O)ccc2n1C1OC(CO)C(O)C1O |
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| InChI Key | VKRJEKKVQLTBIC-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 | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxypyrimidinesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholspyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | polyhalopyridinemonosaccharidepyrimidonehydroxypyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineprimary alcoholalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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