| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:39 UTC |
|---|
| Update Date | 2025-03-21 17:59:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021239 |
|---|
| Frequency | 188.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O8S |
|---|
| Molecular Mass | 280.0253 |
|---|
| SMILES | COc1cc(C(O)OS(=O)(=O)O)cc(OC)c1O |
|---|
| InChI Key | LLDSHAWZUNFWSH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl sulfatesanisolesaromatic alcoholsdimethoxybenzeneshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesmethoxyphenolalkyl aryl ethermethoxybenzenearomatic homomonocyclic compounddimethoxybenzeneorganic oxideorganic oxygen compoundm-dimethoxybenzeneanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
