| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:56 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19BrN2O |
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| Molecular Mass | 334.0681 |
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| SMILES | CN(CCCC(O)c1ccccn1)c1ccc(Br)cc1 |
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| InChI Key | KZHMUIQLXDWHSW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | dialkylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaniline and substituted anilinesaromatic alcoholsaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganobromidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundorganohalogen compoundorganopnictogen compound2-halopyridinedialkylarylamineorganoheterocyclic compoundalcoholazacycleaniline or substituted anilinesheteroaromatic compoundhydroxypyridinebromobenzenemethylpyridinearyl halidepyridineorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativebenzenoidhalobenzenearyl bromideorganooxygen compound |
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