| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23FN2O2 |
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| Molecular Mass | 366.1744 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCNCC1(O)CC1)c1ccc(F)cc1 |
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| InChI Key | PWOIIKSYCXBPSF-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 fluoridescyclic alcohols and derivativesdialkyl ethersdialkylaminesfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundstertiary alcohols |
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| Substituents | aryl fluorideethernitrileorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcyclopropanolcarbonitrileorganoheterocyclic compoundalcoholsecondary aliphatic amineorganofluoridesecondary aminearyl halideoxacycletertiary alcoholorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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