| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:25:42 UTC |
|---|
| Update Date | 2025-03-24 21:10:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01695918 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8O2 |
|---|
| Molecular Mass | 136.0524 |
|---|
| SMILES | C=CC1=CC(=O)CCC1=O |
|---|
| InChI Key | AFXPOWDMTXFVKW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclohexenones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | cyclohexenoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivative |
|---|
