| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:10 UTC |
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| Update Date | 2025-03-21 17:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022403 |
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| Frequency | 177.1 |
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| Structure | |
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| Chemical Formula | C10H7NO6S |
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| Molecular Mass | 268.9994 |
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| SMILES | O=C(O)c1ccc2cccc(OS(=O)(=O)O)c2n1 |
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| InChI Key | TWBWBDJIEMDUNX-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 | quinolines and derivatives |
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| Subclass | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssulfuric acid monoesters |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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