| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:48 UTC |
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| Update Date | 2025-03-21 18:01:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030845 |
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| Frequency | 120.2 |
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| Structure | |
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| Chemical Formula | C15H17BrN2 |
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| Molecular Mass | 304.0575 |
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| SMILES | CNCCC(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | LJCQBJWGCRNOHL-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 | 2-halopyridinesaryl bromidesazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganobromidesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminearomatic heteromonocyclic compoundazacycleheteroaromatic compoundbromobenzenemethylpyridinesecondary amineorganohalogen compoundaryl halidepyridineorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundaryl bromideorganoheterocyclic compoundamine |
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