Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:38:09 UTC |
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Update Date | 2025-03-25 00:45:49 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02151471 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C18H17FN2O |
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Molecular Mass | 296.1325 |
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SMILES | N#Cc1ccc2c(c1)OC(CCCN)(c1cccc(F)c1)C2 |
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InChI Key | IEVJVDBCWIZDQV-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 | alkyl aryl ethersaryl fluoridescoumaransfluorobenzeneshydrocarbon derivativesmonoalkylaminesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylamines |
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Substituents | aryl fluoridemonocyclic benzene moietyethernitrile2-arylbenzofuran flavonoidalkyl aryl etherorganohalogen compoundfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundcoumaranorganofluoridearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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