| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:23 UTC |
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| Update Date | 2025-03-21 18:41:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132672 |
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| Frequency | 19.0 |
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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)c1cc(=O)c2ccc(S(=O)(=O)O)cc2[nH]1 |
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| InChI Key | WRYXULCTDJCEGY-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 | 1-sulfo,2-unsubstituted aromatic compounds2-halopyridinesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspolyhalopyridinespyridine-2-carboxylic acidssulfonylsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesorganosulfonic acid or derivativescarboxylic acidpolyhalopyridineorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amide1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemonocarboxylic acid or derivativesdihydroquinolonesulfonylpyridineorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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