| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:56 UTC |
|---|
| Update Date | 2025-03-21 18:01:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033574 |
|---|
| Frequency | 108.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6O7S |
|---|
| Molecular Mass | 245.9834 |
|---|
| SMILES | O=C1Oc2ccccc2OC1OS(=O)(=O)O |
|---|
| InChI Key | KAKRJSJVJPKVRZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxanes |
|---|
| Subclass | benzo-1,4-dioxanes |
|---|
| Direct Parent | benzo-1,4-dioxanes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinssulfuric acid monoesters |
|---|
| Substituents | benzo-1,4-dioxanesulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundcarboxylic acid esteralkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
