| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:14 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO2S |
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| Molecular Mass | 219.0354 |
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| SMILES | CSc1nc2ccccc2cc1C(=O)O |
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| InChI Key | OERQBFIRGALKHB-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-halopyridinesalkylarylthioethersazacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidssulfenyl compoundsvinylogous thioesters |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherquinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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