| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:22 UTC |
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| Update Date | 2025-03-21 18:03:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046653 |
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| Frequency | 71.7 |
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| Structure | |
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| Chemical Formula | C12H7Cl3O2 |
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| Molecular Mass | 287.9512 |
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| SMILES | Oc1c(Cl)cccc1Oc1ccc(Cl)cc1Cl |
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| InChI Key | CYTRYZRMQHRCCC-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-4-unsubstituted benzenoidsaryl chloridesdiarylethersdichlorobenzeneshalophenolshydrocarbon derivativeso-chlorophenolsorganochloridesphenol ethersphenoxy compounds |
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| Substituents | aryl chloride2-chlorophenolchlorobenzenediaryl etherphenol etheretherorganochloride1-hydroxy-4-unsubstituted benzenoidorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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