| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:39:22 UTC |
|---|
| Update Date | 2025-03-21 22:53:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00578931 |
|---|
| Frequency | 2.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O |
|---|
| Molecular Mass | 136.0888 |
|---|
| SMILES | CC1=CC=C(C(C)C)C1=O |
|---|
| InChI Key | BSQXEMUTZOOZNM-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 |
|---|
