| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:42 UTC |
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| Update Date | 2025-03-25 00:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24BrNO |
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| Molecular Mass | 397.1041 |
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| SMILES | CN(C)CCCC(O)(c1ccc(Br)cc1)c1cccc2ccccc12 |
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| InChI Key | TUTZXSPCPJTSRW-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 homopolycyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl bromidesbromobenzeneshydrocarbon derivativesnaphthalenesorganobromidesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholtertiary aliphatic aminebromobenzenearomatic homopolycyclic compoundorganohalogen compoundaryl halidetertiary alcoholphenylbutylaminenaphthaleneorganic oxygen compoundorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideaminetertiary amineorganooxygen compound |
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