Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:57 UTC |
---|
Update Date | 2025-03-21 18:35:22 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105304 |
---|
Frequency | 25.7 |
---|
Structure | |
---|
Chemical Formula | C12H8Cl2O6S |
---|
Molecular Mass | 349.9419 |
---|
SMILES | O=S(=O)(O)Oc1cc(Cl)ccc1Oc1ccc(O)c(Cl)c1 |
---|
InChI Key | ICBFFDAEBHDLFP-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | benzenoids |
---|
Class | benzene and substituted derivatives |
---|
Subclass | diphenylethers |
---|
Direct Parent | diphenylethers |
---|
Geometric Descriptor | aromatic homomonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzenesdiarylethershalophenolshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesters |
---|
Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundphenylsulfateorganic oxidearylsulfatearyl chloride2-chlorophenolchlorobenzeneorganic sulfuric acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
---|