| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:49 UTC |
|---|
| Update Date | 2025-03-21 18:41:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135933 |
|---|
| Frequency | 18.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2S2 |
|---|
| Molecular Mass | 192.0279 |
|---|
| SMILES | O=C(O)CCC1CCSSC1 |
|---|
| InChI Key | BBQDHRJVEXPTJA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dithianes |
|---|
| Subclass | dithianes |
|---|
| Direct Parent | dithianes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivative1,2-dithianeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidealiphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
