| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:25 UTC |
|---|
| Update Date | 2025-03-25 00:50:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179458 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O10S2 |
|---|
| Molecular Mass | 329.9715 |
|---|
| SMILES | COc1cccc(O)c1OS(=O)(=O)OCOS(=O)(=O)O |
|---|
| InChI Key | MGILWYVKXKINCQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisolesarylsulfateshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid diesterssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidesulfuric acid diesteralkyl sulfatearylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
