| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:44 UTC |
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| Update Date | 2025-03-21 18:39:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124029 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C23H30ClNO4 |
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| Molecular Mass | 419.1863 |
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| SMILES | COCCc1ccc(OCC(O)CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 |
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| InChI Key | MTJVBKJWPAKKFM-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 | 1,2-aminoalcoholsalkyl aryl ethersaryl chloridesazacyclic compoundschlorobenzenesdialkyl ethershydrocarbon derivativesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholstertiary alcoholstrialkylaminestyrosols and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compounddialkyl etherorganonitrogen compoundorganopnictogen compoundtyrosol derivativetertiary aminearyl chloridechlorobenzenealcoholazacycle1,2-aminoalcoholtertiary aliphatic aminearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
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