| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:09 UTC |
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| Update Date | 2025-03-25 00:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15FN2O6S |
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| Molecular Mass | 382.0635 |
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| SMILES | CC1COc2c(N3CCS(=O)(=O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 |
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| InChI Key | DMEPNGRXOSVKKB-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-halopyridinesalkyl aryl ethersaryl fluoridesazacyclic compoundsbenzenoidsbenzoxazinescarboxylic acidsdialkylarylaminesfluoroquinoloneshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridine-3-carboxylic acidssulfonesthiazolidinesvinylogous amides |
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| Substituents | aryl fluoridepyridine carboxylic acid or derivativesethercarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundquinoline-3-carboxylic acidhaloquinolineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundfluoroquinolone2-halopyridinedialkylarylaminevinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxypyridinedihydroquinolinebenzoxazinemethylpyridinearyl halideoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundsulfonethiazolidine |
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