| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:49:46 UTC |
|---|
| Update Date | 2025-03-21 22:58:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00603834 |
|---|
| Frequency | 2.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O2 |
|---|
| Molecular Mass | 126.0681 |
|---|
| SMILES | C=CC(O)C(=O)C=CC |
|---|
| InChI Key | OWMCVSWIXGNOLS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | acyloins |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupenone |
|---|
