| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:31 UTC |
|---|
| Update Date | 2025-03-21 18:05:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00058642 |
|---|
| Frequency | 53.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O5S |
|---|
| Molecular Mass | 242.0249 |
|---|
| SMILES | C=CC(=O)Cc1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | CTUWPRCYDPDVKV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoesteralpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compoundenone |
|---|
