| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:57 UTC |
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| Update Date | 2025-03-21 18:39:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124509 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C22H26ClNO3 |
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| Molecular Mass | 387.1601 |
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| SMILES | O=C(O)CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 |
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| InChI Key | IXRJIMNTNAGBQH-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 | amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpropanoic acidstertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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