| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:33 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135298 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C21H24ClNO2 |
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| Molecular Mass | 357.1496 |
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| SMILES | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 |
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| InChI Key | XMYBCDHWKUBJDW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesaryl chloridesazacyclic compoundsbenzoyl derivativesbutyrophenoneschlorobenzenesgamma-amino ketoneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylbutylaminesphenylpiperidinestertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundorganochloridebenzoylorganohalogen compoundorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholgamma-aminoketoneazacycletertiary aliphatic aminearyl halidebutyrophenonetertiary alcoholphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneaminealkyl-phenylketone |
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