| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:22 UTC |
|---|
| Update Date | 2025-03-21 17:56:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004704 |
|---|
| Frequency | 1179.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O |
|---|
| Molecular Mass | 112.0888 |
|---|
| SMILES | CCC(C)=CC(C)=O |
|---|
| InChI Key | BGTFWRDJZNCBCV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | acryloyl compounds |
|---|
| Direct Parent | acryloyl compounds |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | enoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundcarbonyl grouporganic oxidehydrocarbon derivativeacryloyl-groupalpha,beta-unsaturated ketoneenone |
|---|
