| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:52 UTC |
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| Update Date | 2025-03-21 18:29:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076240 |
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| Frequency | 38.7 |
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| Structure | |
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| Chemical Formula | C36H35FN2O2 |
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| Molecular Mass | 546.2683 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 |
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| InChI Key | RRUINONOIANTJZ-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl fluoridesazacyclic compoundsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphenylbutylaminespiperidinestertiary alcoholstrialkylamines |
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| Substituents | aryl fluoridearomatic alcoholdiphenylmethaneethernitrileorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarbonitriletertiary amineorganoheterocyclic compoundalcoholazacycleorganofluoridetertiary aliphatic aminearyl halideoxacycletertiary alcoholorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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