| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:33 UTC |
|---|
| Update Date | 2025-03-25 00:49:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172850 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9FO |
|---|
| Molecular Mass | 116.0637 |
|---|
| SMILES | CCC=C(F)C(C)=O |
|---|
| InChI Key | CMJAJFRUYWOZMY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-branched alpha,beta-unsaturated ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-haloketonesenonesfluoroalkeneshydrocarbon derivativesorganic oxidesorganofluoridesvinyl fluorides |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundorganofluoridevinyl fluorideorganohalogen compoundketoneorganic oxidevinyl halidehaloalkenealpha-haloketonehydrocarbon derivativeacryloyl-groupfluoroalkeneenone |
|---|
