| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:35 UTC |
|---|
| Update Date | 2025-03-25 01:00:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02246170 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20O3S |
|---|
| Molecular Mass | 268.1133 |
|---|
| SMILES | CC1=C(C(=O)CSCCC(=O)O)C(C)(C)CC=C1 |
|---|
| InChI Key | CAKZVBXJUKIMIO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | ketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | carboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesthioetheraliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
