| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:05 UTC |
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| Update Date | 2025-03-21 18:05:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059982 |
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| Frequency | 52.3 |
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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)c1ccnc2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | LVBVEPVIGMWDFQ-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-carboxy-2-haloaromatic compounds2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acidssulfuric acid monoesters |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarboxylic acidpolyhalopyridinequinoline-4-carboxylic acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate1-carboxy-2-haloaromatic compound2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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