| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:45 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180206 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO |
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| Molecular Mass | 167.0138 |
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| SMILES | Cc1cc(C#N)cc(Cl)c1O |
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| InChI Key | LCZDCHYPSLUZID-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 chloridesbenzonitrileschlorobenzeneshydrocarbon derivativesnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsortho cresolstoluenes |
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| Substituents | aryl chloride2-chlorophenolchlorobenzenemonocyclic benzene moietynitrileorganochlorideorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenetoluenecarbonitrileorganooxygen compound |
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