| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:13 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12BrNO2 |
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| Molecular Mass | 329.0051 |
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| SMILES | COc1ccc2nccc(Oc3ccc(Br)cc3)c2c1 |
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| InChI Key | OUBKFGUYRXFICA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspolyhalopyridinesquinolines and derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietypolyhalopyridinealkyl aryl etherorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundbromobenzenemethylpyridinearyl halidepyridineanisoleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromide |
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