| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:17 UTC |
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| Update Date | 2025-03-21 18:32:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091468 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C10H6BrNO3 |
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| Molecular Mass | 266.9531 |
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| SMILES | O=C(O)c1c[nH]c2ccc(Br)cc2c1=O |
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| InChI Key | GIUZUAUCCUFVKW-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 bromidesazacyclic compoundsbenzenoidscarboxylic acidshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganohalogen compoundquinoline-3-carboxylic acidhaloquinolineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinearyl halidemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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