| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:21 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048975 |
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| Frequency | 67.5 |
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| Structure | |
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| Chemical Formula | C13H9Cl3O5S |
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| Molecular Mass | 381.9236 |
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| SMILES | COS(=O)(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
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| InChI Key | VKNJCPQFLCBARG-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 | alkyl sulfatesaryl chloridesarylsulfatesdiarylethersdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundssulfuric acid diesters |
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| Substituents | diaryl etherphenol etheretherorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxidesulfuric acid diesteralkyl sulfatearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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