| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:14 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120509 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C20H23BrClNO2 |
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| Molecular Mass | 423.0601 |
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| SMILES | OC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 |
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| InChI Key | WMFAJCXSCZNCAN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsaromatic alcoholsaryl bromidesaryl chloridesazacyclic compoundsbromobenzeneschlorobenzeneshydrocarbon derivativesorganobromidesorganochloridesorganopnictogen compoundssecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycletertiary aliphatic aminebromobenzenearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinesecondary alcoholorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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