| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:56:39 UTC |
|---|
| Update Date | 2025-03-24 14:06:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00762421 |
|---|
| Frequency | 2.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O2 |
|---|
| Molecular Mass | 142.0994 |
|---|
| SMILES | CCC(O)C(=O)C=C(C)C |
|---|
| InChI Key | VTEHOAZADORTCW-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 |
|---|
