| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:34 UTC |
|---|
| Update Date | 2025-03-21 18:31:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085108 |
|---|
| Frequency | 33.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O2 |
|---|
| Molecular Mass | 114.0681 |
|---|
| SMILES | C=CC(=O)CC(C)O |
|---|
| InChI Key | HITSNFYKQQFUCL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | b'-hydroxy-alpha,beta-unsaturated ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsbeta-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundb'-hydroxy-alpha,beta-unsaturated-ketoneketoneorganic oxidesecondary alcoholhydrocarbon derivativeacryloyl-groupenone |
|---|
