| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:18 UTC |
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| Update Date | 2025-03-25 00:58:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233973 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H9NO7S |
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| Molecular Mass | 335.01 |
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| SMILES | O=C(O)c1cc(=O)c2c(ccc3ccc(OS(=O)(=O)O)cc32)[nH]1 |
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| InChI Key | GQJSWTWNVQSREM-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 | benzoquinolines |
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| Direct Parent | benzoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidsquinoline carboxylic acidssulfuric acid monoestersvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinebenzoquinolinemonocarboxylic acid or derivativesdihydroquinolonepyridinenaphthaleneorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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