| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:22 UTC |
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| Update Date | 2025-03-21 18:29:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077445 |
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| Frequency | 37.9 |
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| Structure | |
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| Chemical Formula | C20H21FN2O |
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| Molecular Mass | 324.1638 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)COc2cc(C#N)ccc21 |
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| InChI Key | CJWCFXXHPCLLAS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | coumarans |
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| Subclass | 1-phenylcoumarans |
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| Direct Parent | 1-phenylcoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl fluoridesfluorobenzeneshydrocarbon derivativesnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphenylbutylaminestrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietyethernitrilealkyl aryl etherorganohalogen compoundfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amine1-phenylcoumaranorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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