| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:18 UTC |
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| Update Date | 2025-03-21 18:03:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044089 |
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| Frequency | 76.8 |
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| Structure | |
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| Chemical Formula | C17H21BrN2 |
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| Molecular Mass | 332.0888 |
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| SMILES | CN(C)CCCC(c1ccc(Br)cc1)c1cccnc1 |
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| InChI Key | PHJMSKGYRYICSK-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganobromidesorganopnictogen compoundstrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzenemethylpyridineorganohalogen compoundaryl halidephenylbutylaminepyridineorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideaminetertiary amineorganoheterocyclic compound |
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