| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:26 UTC |
|---|
| Update Date | 2025-03-25 00:59:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238820 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O4S |
|---|
| Molecular Mass | 200.0143 |
|---|
| SMILES | O=CC(c1ccccc1)S(=O)(=O)O |
|---|
| InChI Key | FSYQCTASRAKQOD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylacetaldehydes |
|---|
| Direct Parent | phenylacetaldehydes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aldehydeshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativescarbonyl grouporganosulfonic acidaldehydeorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
|---|
