| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:36 UTC |
|---|
| Update Date | 2025-03-21 18:04:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00049559 |
|---|
| Frequency | 66.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O6S |
|---|
| Molecular Mass | 234.0198 |
|---|
| SMILES | COc1cccc(C(O)OS(=O)(=O)O)c1 |
|---|
| InChI Key | XASNZUPJFBVMJM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkyl sulfatesaromatic alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
