| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:46 UTC |
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| Update Date | 2025-03-21 18:07:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068798 |
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| Frequency | 44.0 |
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| Structure | |
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| Chemical Formula | C11H9NO6S |
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| Molecular Mass | 283.0151 |
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| SMILES | CS(=O)(=O)Oc1cccc2c(=O)cc(C(=O)O)[nH]c12 |
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| InChI Key | AIWAJJHFQVDBLP-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-halopyridinesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmethanesulfonatesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspolyhalopyridinespyridine-2-carboxylic acidssulfonic acid esterssulfonylsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesorganosulfonic acid or derivativescarboxylic acidpolyhalopyridineorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridineorganosulfonic acid estermethanesulfonatemonocarboxylic acid or derivativesdihydroquinolonesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativespyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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