| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:38 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9BrN2 |
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| Molecular Mass | 199.9949 |
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| SMILES | NCCc1ccc(Br)cn1 |
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| InChI Key | YSONVYGWEROTBG-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 derivativesmonoalkylaminesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundorganohalogen compoundaryl halideorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundaryl bromide |
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