| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:37 UTC |
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| Update Date | 2025-03-21 18:36:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111861 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C28H26ClFN2O2 |
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| Molecular Mass | 476.1667 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
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| InChI Key | KXYXBVXSYOEKHY-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 heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesaryl fluoridesazacyclic compoundschlorobenzenesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganochloridesorganofluoridesorganopnictogen compoundsoxacyclic compoundstertiary alcoholstrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietyethernitrileorganochlorideorganohalogen compounddialkyl etherfluorobenzeneisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary aminearyl chloridechlorobenzenealcoholazacycleorganofluoridetertiary aliphatic aminearyl halideoxacycletertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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