| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:52 UTC |
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| Update Date | 2025-03-21 18:36:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110049 |
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| Frequency | 40.4 |
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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 | O=c1ccc2cc(Br)ccc2[nH]1 |
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| InChI Key | YLAFBGATSQRSTB-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbenzenoidshaloquinolinesheteroaromatic compoundshydrocarbon derivativeshydroquinolineslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinones |
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| Substituents | lactampolyhalopyridineorganohalogen compoundhaloquinolineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compounddihydroquinolinearyl halidedihydroquinolonepyridineorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromidepyridinoneorganooxygen compound |
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