| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:04 UTC |
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| Update Date | 2025-03-21 18:07:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067101 |
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| Frequency | 45.4 |
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| Structure | |
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| Chemical Formula | C12H9ClO6S |
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| Molecular Mass | 315.9808 |
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| SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1Oc1ccc(O)cc1 |
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| InChI Key | UWNJBRBLJPETNW-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 benzenoidsaryl chlorideschlorobenzenesdiarylethershydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylsulfateorganic oxidearylsulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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