| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:37 UTC |
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| Update Date | 2025-03-25 01:01:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18FNO2 |
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| Molecular Mass | 323.1322 |
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| SMILES | CC1(C)CC(CC(=O)O)(c2ccc(F)cc2)c2ccc(C#N)cc21 |
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| InChI Key | RJOQUUGFUGXFKX-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl fluoridescarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesindanesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupnitrilecarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrileorganofluoridearomatic homopolycyclic compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundindanehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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