| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:38 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056538 |
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| Frequency | 56.3 |
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| Structure | |
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| Chemical Formula | C19H19FN2 |
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| Molecular Mass | 294.1532 |
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| SMILES | N#Cc1ccc2c(c1)CCC2(CCCN)c1ccc(F)cc1 |
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| InChI Key | HYESXBZKRJKGLB-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 homopolycyclic compounds |
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| Alternative Parents | aryl fluoridesfluorobenzeneshydrocarbon derivativesindanesmonoalkylaminesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl fluoridenitrileorganofluoridearomatic homopolycyclic compoundorganohalogen compoundaryl halidefluorobenzenephenylbutylamineindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenecarbonitrile |
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