| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:02 UTC |
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| Update Date | 2025-03-21 18:39:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127135 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C7H9NO6S |
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| Molecular Mass | 235.0151 |
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| SMILES | Cc1ncc(O)c(CO)c1OS(=O)(=O)O |
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| InChI Key | CSRBGTPHOAKPNH-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-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsulfuric acid monoesteraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfate2-halopyridineorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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