| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:13 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO6S |
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| Molecular Mass | 220.9994 |
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| SMILES | O=c1[nH]c(OS(=O)(=O)O)ccc1CO |
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| InChI Key | QKTYMKLRTPQOPP-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 derivativeshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoesterlactamaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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