| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:47 UTC |
|---|
| Update Date | 2025-03-25 00:53:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200788 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12F3NOS |
|---|
| Molecular Mass | 287.0592 |
|---|
| SMILES | COc1ccc2nccc(SCCC(F)(F)F)c2c1 |
|---|
| InChI Key | QQBVWRJRYCQHTL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolines and derivatives |
|---|
| Direct Parent | quinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersalkyl fluoridesalkylarylthioethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
|---|
| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etheralkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetheraromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundalkyl halide2-halopyridinesulfenyl compoundazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
