| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:14 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120525 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C21H22F2N2O2 |
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| Molecular Mass | 372.1649 |
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| SMILES | CN(C)CCCC1(c2ccc(OC(F)F)cc2)OCc2cc(C#N)ccc21 |
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| InChI Key | QGWHSXXJXCZHOX-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 | alkyl fluoridesdialkyl ethershydrocarbon derivativesisocoumaransnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundstrialkylamines |
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| Substituents | phenol etherethernitrileorganohalogen compounddialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidecarbonitriletertiary amineorganoheterocyclic compoundalkyl fluorideorganofluoridetertiary aliphatic amineoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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