| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:15 UTC |
|---|
| Update Date | 2025-03-21 18:00:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00029565 |
|---|
| Frequency | 126.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O3S |
|---|
| Molecular Mass | 172.0194 |
|---|
| SMILES | CSCc1ccc(C(=O)O)o1 |
|---|
| InChI Key | XGXXQCKZGHPNSE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furoic acid and derivatives |
|---|
| Direct Parent | furoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfenyl compounds |
|---|
| Substituents | carboxylic acidsulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativefuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
|---|
