| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:30 UTC |
|---|
| Update Date | 2025-03-25 00:47:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163576 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O2S |
|---|
| Molecular Mass | 224.0871 |
|---|
| SMILES | CC1(Cc2ccccc2)CCS(=O)(=O)C1 |
|---|
| InChI Key | VHPRZSJECGWKRL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidessulfonesthiolanes |
|---|
| Substituents | thiolanemonocyclic benzene moietyorganic oxideorganic oxygen compoundaromatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundsulfone |
|---|
