| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:01 UTC |
|---|
| Update Date | 2025-03-21 18:39:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00127091 |
|---|
| Frequency | 20.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | C=CC(C)(O)CC(C)=O |
|---|
| InChI Key | KPHGYJYPXDUVLU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta-hydroxy ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundtertiary alcoholorganic oxidehydrocarbon derivative |
|---|
