| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:29 UTC |
|---|
| Update Date | 2025-03-25 00:59:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238916 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O4S |
|---|
| Molecular Mass | 200.0143 |
|---|
| SMILES | O=CCc1ccccc1S(=O)(=O)O |
|---|
| InChI Key | NQFOQMLGDRUVMM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalpha-hydrogen aldehydesarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganosulfonic acidsphenylacetaldehydessulfonyls |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl group1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaldehydebenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehydebenzenesulfonyl group |
|---|
