| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:23 UTC |
|---|
| Update Date | 2025-03-25 00:53:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202141 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O2S |
|---|
| Molecular Mass | 210.0715 |
|---|
| SMILES | CSC(CCC(=O)O)c1ccccc1 |
|---|
| InChI Key | UOSKCTJHJQNPQX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | thia fatty acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
