| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:22 UTC |
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| Update Date | 2025-03-21 18:33:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094093 |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C19H18FN3O2 |
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| Molecular Mass | 339.1383 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCNC(N)=O)c1ccc(F)cc1 |
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| InChI Key | ZTDJPUHBJHVEJL-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 fluoridescarbonyl compoundsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridecarbonyl groupethernitrileorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundcarbonic acid derivativeorganofluoridearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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