| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:03 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244904 |
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| Frequency | 0.5 |
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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)CCC1(c2ccc(F)cc2)CCOc2ccc(C#N)cc21 |
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| InChI Key | DHQFFQYZZBXKTB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | neoflavonoids |
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| Subclass | neoflavans |
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| Direct Parent | neoflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersaryl fluoridesfluorobenzeneshydrocarbon derivativesnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluorideneoflavanmonocyclic benzene moietyethernitrile1-benzopyranalkyl aryl etherorganohalogen compoundfluorobenzenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromanecarbonitriletertiary amineorganoheterocyclic compoundbenzopyranorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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