| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:24 UTC |
|---|
| Update Date | 2025-03-21 18:06:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00060752 |
|---|
| Frequency | 51.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O7S |
|---|
| Molecular Mass | 262.0147 |
|---|
| SMILES | Cc1c(C(=O)OS(C)(=O)=O)cc(O)c(O)c1O |
|---|
| InChI Key | VGPMIKMPIPWQNL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmeta cresolsmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acids and derivativesortho cresolspara cresolssulfonylstoluenes |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietybenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganic oxidep-cresolo-cresolpyrogallol derivativem-cresolbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmethanesulfonatemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativetolueneorganooxygen compound |
|---|
