| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:10 UTC |
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| Update Date | 2025-03-25 01:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245173 |
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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(O)CCCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | XKSBIEHIGFEGMT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-organohydroxylaminesorganic oxygen compoundsorganobromidesorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinebromobenzenemethylpyridineorganohalogen compoundn-organohydroxylaminearyl halidephenylbutylaminepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundorganobromidehydrocarbon derivative2-halopyridineorganic nitrogen compoundhalobenzenearyl bromideorganoheterocyclic compound |
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