| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:48 UTC |
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| Update Date | 2025-03-21 18:02:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040433 |
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| Frequency | 91.1 |
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| Structure | |
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| Chemical Formula | C9H6BrNO |
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| Molecular Mass | 222.9633 |
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| SMILES | Oc1ccnc2ccc(Br)cc12 |
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| InChI Key | XKLBNOHKHRAXKK-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 | haloquinolines |
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| Direct Parent | haloquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganohalogen compoundaryl halidehaloquinolinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundaryl bromideorganooxygen compound |
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