| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:29 UTC |
|---|
| Update Date | 2025-03-25 00:54:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02204647 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H10O7S |
|---|
| Molecular Mass | 322.0147 |
|---|
| SMILES | O=C1c2c(O)cc(O)cc2OS(=O)(=O)C1c1ccc(O)cc1 |
|---|
| InChI Key | WQFHOEOQLGWKKE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundsoxathiinssulfonic acid estersvinylogous acids |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid1,2-oxathiinorganosulfonic acid estersulfonic acid esteroxacyclevinylogous acidorganic oxidearomatic heteropolycyclic compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidorganoheterocyclic compound |
|---|
