Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:56 UTC |
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Update Date | 2025-03-21 18:35:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105268 |
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Frequency | 37.6 |
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Structure | |
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Chemical Formula | C14H18BrN3 |
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Molecular Mass | 307.0684 |
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SMILES | CN(C)CCC(c1ccc(Br)cc1)c1c[nH]cn1 |
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InChI Key | WPDBKFNDBVZNHT-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 derivativesimidazolesorganobromidesorganopnictogen compoundstrialkylamines |
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Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halideimidazoleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaryl bromideaminetertiary amineorganoheterocyclic compoundazole |
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