| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 06:32:21 UTC |
|---|
| Update Date | 2025-03-24 17:51:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00992088 |
|---|
| Frequency | 1.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O2 |
|---|
| Molecular Mass | 110.0368 |
|---|
| SMILES | C=CC(=C=O)C(C)=O |
|---|
| InChI Key | IMXKSQANZZKKIX-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 derivativesketenesketonesorganic oxidesynolates |
|---|
| Substituents | ketonealiphatic acyclic compoundcarbonyl grouporganic oxideynolatehydrocarbon derivativeacryloyl-groupketeneenone |
|---|
