| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:32 UTC |
|---|
| Update Date | 2025-03-21 18:33:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094467 |
|---|
| Frequency | 29.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O |
|---|
| Molecular Mass | 96.0575 |
|---|
| SMILES | C=C=CCC(C)=O |
|---|
| InChI Key | OXTPWHNQBSBPDM-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 |
|---|
