| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:28 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234384 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20NO2+ |
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| Molecular Mass | 222.1489 |
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| SMILES | C[N+]1(Cc2ccc(O)c(O)c2)CCCCC1 |
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| InChI Key | MFPOCMJHFITTLX-UHFFFAOYSA-O |
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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 | n-benzylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzylamineshydrocarbon derivativesorganic cationsorganic saltsorganooxygen compoundsorganopnictogen compoundsphenylmethylaminestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidaralkylamineorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltazacyclequaternary ammonium salt1-hydroxy-4-unsubstituted benzenoidn-benzylpiperidinephenylmethylamineorganic oxygen compoundbenzylaminephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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