| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:19 UTC |
|---|
| Update Date | 2025-03-21 17:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002207 |
|---|
| Frequency | 2759.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O7S |
|---|
| Molecular Mass | 250.0147 |
|---|
| SMILES | COc1cc(C(O)OS(=O)(=O)O)ccc1O |
|---|
| InChI Key | XCZCRVJJECVBAJ-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 benzenoidsalkyl aryl ethersalkyl sulfatesanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
