| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H2FN3O |
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| Molecular Mass | 187.0182 |
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| SMILES | N#Cc1cc(C#N)c(F)c(C#N)c1O |
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| InChI Key | RUSUGOHNIBWNDX-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 | aryl fluoridesbenzonitrilesfluorobenzeneshydrocarbon derivativesm-fluorophenolsnitrilesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl fluoride3-halophenolmonocyclic benzene moietynitrileorganofluorideorganohalogen compound3-fluorophenolbenzonitrilearyl halidearomatic homomonocyclic compoundfluorobenzeneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
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