| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201766 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10Cl2O5S |
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| Molecular Mass | 347.9626 |
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| SMILES | Cc1ccc(Oc2ccc(Cl)cc2OS(=O)(=O)O)cc1Cl |
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| InChI Key | YTVXPAHUJWZIEV-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 chlorideschlorobenzenesdiarylethershydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochlorideorganohalogen compoundphenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid estertoluenediphenyletherorganooxygen compound |
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