| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:57 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078881 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C18H17FN2 |
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| Molecular Mass | 280.1376 |
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| SMILES | CNC1CCC(c2ccc(F)cc2)c2ccc(C#N)cc21 |
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| InChI Key | FMMACOCBMWJTNE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | tetralins |
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| Subclass | tametralines |
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| Direct Parent | tametralines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl fluoridesdialkylaminesfluorobenzeneshydrocarbon derivativesnitrilesorganofluoridesorganopnictogen compounds |
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| Substituents | aryl fluoridesecondary aliphatic aminemonocyclic benzene moietynitrileorganofluoridearomatic homopolycyclic compoundsecondary amineorganohalogen compoundaryl halidetametralinefluorobenzeneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrileamine |
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