| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:51 UTC |
|---|
| Update Date | 2025-03-25 00:49:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02173547 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18OS |
|---|
| Molecular Mass | 222.1078 |
|---|
| SMILES | CCC(C)C=CC=CC1=C(C)C(=O)SC1 |
|---|
| InChI Key | IBAAOLVJODRAID-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dihydrothiophenes |
|---|
| Subclass | dihydrothiophenes |
|---|
| Direct Parent | dihydrothiophenes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarbothioic s-lactonescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesthioestersthiolactones |
|---|
| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupthiocarboxylic acid ester2,5-dihydrothiophenecarboxylic acid derivativeorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganooxygen compound |
|---|
