| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:27:26 UTC |
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| Update Date | 2025-03-21 20:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00407891 |
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| Frequency | 4.4 |
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| Structure | |
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| Chemical Formula | C7H4FNO |
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| Molecular Mass | 137.0277 |
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| SMILES | N#Cc1cc(F)ccc1O |
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| InChI Key | MWLKQSIMPLORKX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl fluoridesbenzonitrilesfluorobenzeneshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-fluorophenols |
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| Substituents | aryl fluoride4-fluorophenolmonocyclic benzene moietynitrileorganofluoride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compoundfluorobenzeneorganic oxygen compound4-halophenolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
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