| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:34 UTC |
|---|
| Update Date | 2025-03-25 00:57:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227843 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O2 |
|---|
| Molecular Mass | 124.0524 |
|---|
| SMILES | C=CC(=C=O)CC(C)=O |
|---|
| InChI Key | NPKNNBATZWWLEL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesketenesorganic oxidesynolates |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxideynolatehydrocarbon derivativeketene |
|---|
