| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:20 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20BrN3 |
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| Molecular Mass | 333.0841 |
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| SMILES | CN(C)CCCC(c1cccnc1)c1ccc(Br)cn1 |
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| InChI Key | BPXFEYIEJBHYLY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganobromidesorganopnictogen compoundstrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundtertiary aliphatic aminemethylpyridineorganohalogen compoundaryl halideorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundaryl bromideaminetertiary amine |
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