| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:51 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045415 |
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| Frequency | 95.7 |
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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)c1cc(=O)c2cc(Br)ccc2[nH]1 |
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| InChI Key | NYSWHDCWDSWVAJ-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-2-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidpolyhalopyridinecarboxylic acid derivativeorganohalogen compoundhaloquinolineorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinearyl halidemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidquinoline-2-carboxylic acidorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
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