Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:13 UTC |
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Update Date | 2025-03-21 18:35:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105982 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C21H26ClNO3 |
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Molecular Mass | 375.1601 |
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SMILES | OC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)C(O)c1ccccc1 |
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InChI Key | WLZHTASPMZGTSK-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 chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenylbutylaminessecondary alcoholstertiary alcoholstrialkylamines |
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Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundphenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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