| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:34 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H6ClNO5S |
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| Molecular Mass | 286.9655 |
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| SMILES | O=C(O)c1cc(=O)c2cc(S(=O)O)c(Cl)cc2[nH]1 |
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| InChI Key | JBHOVTILLARYRI-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-halopyridinesaryl chloridesazacyclic compoundsbenzenoidscarboxylic acidshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundspolyhalopyridinespyridine-2-carboxylic acidssulfinic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpolyhalopyridineorganochloridesulfinic acid derivativeorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundsulfinic acidhaloquinolineorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinearyl chloridevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinearyl halidemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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