| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:27 UTC |
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| Update Date | 2025-03-21 18:41:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135060 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C13H7Cl2NO2 |
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| Molecular Mass | 278.9854 |
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| SMILES | N#Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O |
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| InChI Key | CWZQUNPPCCCNSZ-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 | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridesbenzonitrileschlorobenzenesdiarylethershalophenolshydrocarbon derivativesm-chlorophenolsnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzene3-halophenol3-chlorophenol1-hydroxy-4-unsubstituted benzenoidbenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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