| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:09 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19FN2O2 |
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| Molecular Mass | 338.1431 |
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| SMILES | CC(=O)NCCCC1(c2ccc(F)cc2)Cc2cc(C#N)ccc2O1 |
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| InChI Key | BEVMRPPPYAHCTK-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 | 2-arylbenzofuran flavonoids |
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| Subclass | 2-arylbenzofuran flavonoids |
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| Direct Parent | 2-arylbenzofuran flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersaryl fluoridescarbonyl compoundscarboxylic acids and derivativescoumaransfluorobenzeneshydrocarbon derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylaminessecondary carboxylic acid amides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethernitrile2-arylbenzofuran flavonoidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundcoumaranacetamideorganofluoridecarboxamide grouparyl halideoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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