| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:34 UTC |
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| Update Date | 2025-03-21 18:30:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082751 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C8H11NO6S |
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| Molecular Mass | 249.0307 |
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| SMILES | Cc1ncc(CO)c(COS(=O)(=O)O)c1O |
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| InChI Key | BYIBXEFBGPNBNC-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 | pyridines and derivatives |
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| Subclass | pyridoxines |
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| Direct Parent | pyridoxines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl sulfatesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridoxineorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivative2-halopyridineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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