| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:14 UTC |
|---|
| Update Date | 2025-03-25 00:58:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02233816 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O2S2 |
|---|
| Molecular Mass | 202.0122 |
|---|
| SMILES | CSc1sc(C)c(C)c1C(=O)O |
|---|
| InChI Key | ATZTWXUEPKRLTN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiophenes |
|---|
| Subclass | thiophene carboxylic acids and derivatives |
|---|
| Direct Parent | thiophene carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsvinylogous thioesters |
|---|
| Substituents | vinylogous thioestercarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundthiophene carboxylic acidheteroaromatic compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compound |
|---|
