| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:04 UTC |
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| Update Date | 2025-03-21 18:34:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103151 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C17H21BrN2O |
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| Molecular Mass | 348.0837 |
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| SMILES | CN(C)CCCC(O)(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | OIPRTMAMRJTWHP-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-halopyridinesaromatic alcoholsaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganobromidesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundorganohalogen compoundphenylbutylamineorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinebromobenzenemethylpyridinearyl halidetertiary alcoholpyridineorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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