| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:09 UTC |
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| Update Date | 2025-03-21 18:31:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086476 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C20H21FN2O2 |
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| Molecular Mass | 340.1587 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc2O1 |
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| InChI Key | OJIAGQLCNZCPAT-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 | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzodioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridesbenzo-1,3-dioxanesfluorobenzeneshydrocarbon derivativesketalsnitrilesorganofluoridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylaminestrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietynitrileorganohalogen compoundfluorobenzenephenylbutylamineacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary aminephenylbenzodioxaneorganofluoridetertiary aliphatic aminebenzo-1,3-dioxanearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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