| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155822 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO4S |
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| Molecular Mass | 251.0252 |
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| SMILES | CSOc1cccc2c(=O)cc(C(=O)O)[nH]c12 |
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| InChI Key | PBGDEIJNYCKAAY-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 derivativeshydroquinolineshydroquinoloneshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganic thioperoxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssulfenyl compoundsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpolyhalopyridineorganic thioperoxideorganosulfur compoundcarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amidesulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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