| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:31:29 UTC |
|---|
| Update Date | 2025-03-21 20:58:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00417706 |
|---|
| Frequency | 4.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | C=CC(=O)C(=O)C(C)O |
|---|
| InChI Key | AXQZPUYMDFFHAQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-diketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundalpha,beta-unsaturated ketonealpha-hydroxy ketonealpha-diketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupenone |
|---|
