| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:27 UTC |
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| Update Date | 2025-03-21 18:03:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041982 |
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| Frequency | 108.2 |
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| Structure | |
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| Chemical Formula | C6H5N3O4S |
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| Molecular Mass | 215.0001 |
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| SMILES | O=S(=O)(O)Oc1ccc2[nH]cnc2n1 |
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| InChI Key | AFVACLVACISSDY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineimidazopyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfate2-halopyridineorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazole |
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