| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:42 UTC |
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| Update Date | 2025-03-25 00:47:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18F2N2 |
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| Molecular Mass | 288.1438 |
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| SMILES | NCCCC1(c2ccc(F)cc2)NCc2cc(F)ccc21 |
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| InChI Key | XFBAPVPCVWZBEO-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsdialkylaminesfluorobenzeneshydrocarbon derivativesisoindolesisoindolinesmonoalkylaminesorganofluoridesorganopnictogen compounds |
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| Substituents | aryl fluoridesecondary aliphatic amineazacycleisoindoleorganofluoridesecondary amineorganohalogen compoundaryl halidefluorobenzenephenylbutylamineisoindolinearomatic heteropolycyclic compoundisoindole or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganoheterocyclic compoundamine |
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