| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:04 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H8Br2N2O |
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| Molecular Mass | 401.9003 |
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| SMILES | N#Cc1cnc2ccccc2c1Oc1ccc(Br)cc1Br |
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| InChI Key | MZSCHGUVAZSXJI-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-halopyridinesaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativesnitrilesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinespyridines and derivativesquinolines and derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietynitrilepolyhalopyridineorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinecarbonitrileorganoheterocyclic compoundazacycleheteroaromatic compoundbromobenzenearyl halidepyridineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromide |
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