| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:14 UTC |
|---|
| Update Date | 2025-03-21 18:39:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125206 |
|---|
| Frequency | 34.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H6OS |
|---|
| Molecular Mass | 138.0139 |
|---|
| SMILES | O=C(S)c1ccccc1 |
|---|
| InChI Key | UIJGNTRUPZPVNG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzenecarbothioic s-acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkylthiolsbenzoyl derivativescarbodithioic acidscarbothioic s-acidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsthiobenzoic acids and derivativesthiocarboxylic acids and derivativesthiolactones |
|---|
| Substituents | thiocarboxylic acid or derivativesbenzenecarbothioic s-acidbenzoylcarbodithioic acidorganosulfur compoundcarboxylic acid derivativecarbothioic s-acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativethiolactonealkylthiolthiobenzoic acid or derivativesorganooxygen compound |
|---|
