| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:10 UTC |
|---|
| Update Date | 2025-03-25 00:58:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02231385 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O2 |
|---|
| Molecular Mass | 152.0837 |
|---|
| SMILES | CC1=CCCC(C)(C=O)C1=O |
|---|
| InChI Key | GCDYXAFGCCWPPR-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 | aldehydeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | cyclohexenoneorganic oxidealiphatic homomonocyclic compoundaldehydehydrocarbon derivative |
|---|
