| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:43 UTC |
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| Update Date | 2025-03-21 18:06:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061551 |
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| Frequency | 50.6 |
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| Structure | |
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| Chemical Formula | C16H12FNO2 |
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| Molecular Mass | 269.0852 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CO)c1ccc(F)cc1 |
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| InChI Key | QJGQIZYRSALHCL-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsaryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridealcoholmonocyclic benzene moietyethernitrileorganofluorideorganohalogen compounddialkyl etheraryl halideoxacyclefluorobenzeneisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
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