| 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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