| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:37 UTC |
|---|
| Update Date | 2025-03-25 01:00:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241535 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O4S |
|---|
| Molecular Mass | 216.0456 |
|---|
| SMILES | CC(Cc1cccc(O)c1)S(=O)(=O)O |
|---|
| InChI Key | XTHCCCJCNVATMA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfonic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
|---|
