| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:23:09 UTC |
|---|
| Update Date | 2025-03-25 01:02:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02254233 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10OS |
|---|
| Molecular Mass | 166.0452 |
|---|
| SMILES | CC(C)=CC(=O)c1cccs1 |
|---|
| InChI Key | SIPQXTVHRCHUQM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha,beta-unsaturated ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsthiophenes |
|---|
| Substituents | organic oxidearomatic heteromonocyclic compoundheteroaromatic compoundhydrocarbon derivativethiophenealpha,beta-unsaturated ketoneorganoheterocyclic compoundaryl ketone |
|---|
