| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203640 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13F3O2S |
|---|
| Molecular Mass | 278.0588 |
|---|
| SMILES | O=C(O)CCc1ccc(SCCC(F)(F)F)cc1 |
|---|
| InChI Key | VICKSTCNIWFGPN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalkylarylthioethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridessulfenyl compoundsthiophenol ethersthiophenols |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compound3-phenylpropanoic-acidalkyl fluorideorganofluoridealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundaryl thioetheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundthioetherthiophenol etheralkyl halidehydrocarbon derivativebenzenoidorganooxygen compound |
|---|
