| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:10 UTC |
|---|
| Update Date | 2025-03-21 18:38:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00122739 |
|---|
| Frequency | 21.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O2 |
|---|
| Molecular Mass | 138.0681 |
|---|
| SMILES | CCC1=C(C)C(=O)CC1=O |
|---|
| InChI Key | PWVRWLQUAMUOKA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclic ketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | organic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
|---|
