| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:21 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096469 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C16H21BrN2 |
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| Molecular Mass | 320.0888 |
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| SMILES | CN(C)CCC(c1ccc(Br)cc1)c1cccn1C |
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| InChI Key | XPWZNSYPJAGGKY-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 | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganobromidesorganopnictogen compoundssubstituted pyrrolestrialkylamines |
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| Substituents | n-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzenesubstituted pyrroleorganohalogen compoundaryl halidepyrroleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaryl bromideaminetertiary amineorganoheterocyclic compound |
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