| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:03 UTC |
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| Update Date | 2025-03-21 18:28:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074296 |
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| Frequency | 40.0 |
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| Structure | |
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| Chemical Formula | C28H32BrNO2 |
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| Molecular Mass | 493.1616 |
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| SMILES | OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 |
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| InChI Key | DQTSNICLSJXCCV-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl bromidesazacyclic compoundsbromobenzeneshydrocarbon derivativesorganobromidesorganopnictogen compoundsphenylbutylaminespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanearomatic heteromonocyclic compoundorganohalogen compoundphenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminebromobenzenearyl halidetertiary alcoholorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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