| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:11 UTC |
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| Update Date | 2025-03-25 00:54:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12BrNO |
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| Molecular Mass | 313.0102 |
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| SMILES | O=c1ccn(Cc2ccc(Br)cc2)c2ccccc12 |
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| InChI Key | FKXYFSLQIOBLGH-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 | 1-benzylquinolines |
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| Direct Parent | 1-benzylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinolonesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativesvinylogous amides |
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| Substituents | monocyclic benzene moietypolyhalopyridineorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compounddihydroquinolinebromobenzenearyl halidedihydroquinolonepyridineorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromide1-benzylquinolineorganooxygen compound |
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