| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:27 UTC |
|---|
| Update Date | 2025-03-21 18:40:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00130527 |
|---|
| Frequency | 19.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O2S |
|---|
| Molecular Mass | 170.0402 |
|---|
| SMILES | CCCOC(=O)c1cccs1 |
|---|
| InChI Key | HYLLYJWFXKKKOW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiophenes |
|---|
| Subclass | thiophene carboxylic acids and derivatives |
|---|
| Direct Parent | thiophene carboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | carboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativethiophene carboxylic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
