| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:31 UTC |
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| Update Date | 2025-03-21 18:38:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123526 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C21H25Cl2NO2 |
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| Molecular Mass | 393.1262 |
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| SMILES | OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 |
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| InChI Key | UPXWJLXTBXCOPH-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 | aromatic alcoholsaryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenylbutylaminessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundphenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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