| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:31 UTC |
|---|
| Update Date | 2025-03-25 00:49:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177436 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O6S |
|---|
| Molecular Mass | 296.0355 |
|---|
| SMILES | Cc1ccc(Oc2cccc(O)c2OS(=O)(=O)O)cc1 |
|---|
| InChI Key | YDPYWGZMXFGKJV-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsdiarylethershydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
|---|
| Substituents | diaryl etherphenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid estertoluenediphenyletherorganooxygen compound |
|---|
