| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:26 UTC |
|---|
| Update Date | 2025-03-21 18:30:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00082433 |
|---|
| Frequency | 35.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O |
|---|
| Molecular Mass | 140.1201 |
|---|
| SMILES | CC(=O)CC=CC(C)(C)C |
|---|
| InChI Key | JSVBEFPRZQFAJS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivative |
|---|
