| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:29 UTC |
|---|
| Update Date | 2025-03-21 18:34:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00101696 |
|---|
| Frequency | 26.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O5S |
|---|
| Molecular Mass | 244.0405 |
|---|
| SMILES | CS(=O)(=O)Oc1cccc(CCC(=O)O)c1 |
|---|
| InChI Key | MEKNOMNMKJBSKQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acid estersphenoxy compoundssulfonic acid esterssulfonyls |
|---|
| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
