| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:03 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178656 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO7S |
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| Molecular Mass | 248.9943 |
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| SMILES | Cn1cc(OS(=O)(=O)O)c(C(=O)O)cc1=O |
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| InChI Key | PSQINWMMESKLGL-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acidspyridinonessulfuric acid monoesters |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoesterlactamcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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