| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:53 UTC |
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| Update Date | 2025-03-21 18:00:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028727 |
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| Frequency | 130.8 |
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| Structure | |
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| Chemical Formula | C8H3ClN2O |
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| Molecular Mass | 177.9934 |
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| SMILES | N#Cc1ccc(O)c(C#N)c1Cl |
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| InChI Key | FRGXBEGXANVNIH-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 chloridesbenzonitrileschlorobenzeneshydrocarbon derivativesm-chlorophenolsnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzene3-halophenol3-chlorophenolmonocyclic benzene moietynitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
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