| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:15 UTC |
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| Update Date | 2025-03-25 00:48:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22BrNO |
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| Molecular Mass | 299.0885 |
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| SMILES | CC(C)N(C)CCCC(O)c1ccc(Br)cc1 |
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| InChI Key | XKELEFYZAQUYJL-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 homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl bromidesbromobenzeneshydrocarbon derivativesorganobromidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideaminetertiary amineorganooxygen compound |
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