| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:23 UTC |
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| Update Date | 2025-03-25 00:47:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29NO3 |
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| Molecular Mass | 355.2147 |
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| SMILES | Oc1ccc(C(O)CCCN2CCC(Cc3cccc(O)c3)CC2)cc1 |
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| InChI Key | CZJGVVREHXKDSL-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 | benzylpiperidines |
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| Direct Parent | 4-benzylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundshydrocarbon derivativesorganopnictogen compoundsphenylbutylaminessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylbutylamineorganonitrogen compoundorganopnictogen compound4-benzylpiperidinetertiary aminealcoholazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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