| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:28 UTC |
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| Update Date | 2025-03-21 18:34:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099188 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C6H7NO5S |
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| Molecular Mass | 205.0045 |
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| SMILES | COc1ccc(OS(=O)(=O)O)nc1 |
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| InChI Key | NJCSJHIPBLGFCW-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteretheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinealkyl aryl etherorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfate2-halopyridineorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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