| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:45 UTC |
|---|
| Update Date | 2025-03-25 00:48:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171017 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16O3 |
|---|
| Molecular Mass | 208.1099 |
|---|
| SMILES | COC(=O)C1C(=O)C=CC2C1CC2(C)C |
|---|
| InChI Key | NUWKBSMNXCHTJU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclohexenones |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | cyclohexenonecarboxylic acid derivativealiphatic homopolycyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl estercarboxylic acid esterhydrocarbon derivative1,3-dicarbonyl compound |
|---|
