| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:19 UTC |
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| Update Date | 2025-03-21 17:58:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011553 |
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| Frequency | 399.2 |
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| Structure | |
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| Chemical Formula | C7H4ClNO |
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| Molecular Mass | 152.9981 |
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| SMILES | N#Cc1cc(Cl)ccc1O |
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| InChI Key | XWQDMIXVAYAZGB-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 derivativesnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenols |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietynitrile4-chlorophenolorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compound4-halophenolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
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