| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:55 UTC |
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| Update Date | 2025-03-21 18:34:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100287 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C15H18BrN3 |
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| Molecular Mass | 319.0684 |
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| SMILES | CN(C)CCC(c1ccc(Br)cc1)c1ccncn1 |
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| InChI Key | BXLBXTQXFBNLPI-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 derivativesorganobromidesorganopnictogen compoundspyrimidines and pyrimidine derivativestrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halidepyrimidineorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaryl bromideaminetertiary amineorganoheterocyclic compound |
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