| 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 | DMID02241522 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20O3S |
|---|
| Molecular Mass | 256.1133 |
|---|
| SMILES | CC(CO)Cc1ccc(CCS(C)(=O)=O)cc1 |
|---|
| InChI Key | QZJSFZDRTMFBPK-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 | hydrocarbon derivativesorganic oxidesprimary alcoholssulfones |
|---|
| Substituents | alcoholorganosulfur compoundphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundhydrocarbon derivativeprimary alcoholorganooxygen compoundsulfone |
|---|
