| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:05 UTC |
|---|
| Update Date | 2025-03-25 00:50:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178723 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12OS |
|---|
| Molecular Mass | 192.0609 |
|---|
| SMILES | Cc1csc2c1C(=O)C=CC2(C)C |
|---|
| InChI Key | QQKCQWVECBRYOJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl ketones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsthiophenes |
|---|
| Substituents | organic oxidearomatic heteropolycyclic compoundheteroaromatic compoundhydrocarbon derivativethiopheneorganoheterocyclic compoundaryl ketone |
|---|
