| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:32 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018745 |
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| Frequency | 220.1 |
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| Structure | |
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| Chemical Formula | C12H7Cl3O5S |
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| Molecular Mass | 367.908 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1Oc1cc(Cl)ccc1Cl |
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| InChI Key | TXKKPXQUWJWWGX-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 | aryl chloridesdiarylethersdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochlorideorganohalogen compoundphenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivatives1,4-dichlorobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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