| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:17 UTC |
|---|
| Update Date | 2025-03-25 00:57:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222858 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6F2O4S |
|---|
| Molecular Mass | 223.9955 |
|---|
| SMILES | O=S(=O)(O)C(F)(F)c1ccccc1O |
|---|
| InChI Key | KRBNWERCDAGQAH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl fluoridesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganosulfonic acidssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyalkyl fluorideorganofluorideorganosulfonic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundorganohalogen compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
