| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:43 UTC |
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| Update Date | 2025-03-21 18:39:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123987 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C20H20ClFN2O |
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| Molecular Mass | 358.1248 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)c(Cl)cc21 |
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| InChI Key | YTHQJHNJBDLTTA-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 chloridesaryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganochloridesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluorideethernitrileorganochlorideorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineorganoheterocyclic compoundaryl chlorideorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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