| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:36 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5N3O4S |
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| Molecular Mass | 227.0001 |
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| SMILES | O=S(=O)(O)Oc1ncnc2cccnc12 |
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| InChI Key | UICUOCZEZYJAIJ-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-halopyridinesarylsulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrimidines and pyrimidine derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyrimidineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfate2-halopyridineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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