| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:01 UTC |
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| Update Date | 2025-03-21 18:37:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117686 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C18H20ClNO |
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| Molecular Mass | 301.1233 |
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| SMILES | OC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 |
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| InChI Key | NGJGWNDBSJUZQU-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 | n-benzylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aralkylaminesaryl chloridesazacyclic compoundsbenzylamineschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenylmethylaminesphenylpiperidinestertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundaralkylamineorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcoholazacycletertiary aliphatic aminen-benzylpiperidinearyl halidetertiary alcoholphenylmethylamineorganic oxygen compoundbenzylaminephenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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