| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:49:50 UTC |
|---|
| Update Date | 2025-03-21 20:04:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00319198 |
|---|
| Frequency | 6.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O2 |
|---|
| Molecular Mass | 142.0994 |
|---|
| SMILES | CCC=CC(O)C(=O)CC |
|---|
| InChI Key | ZGVHJDORAPCYAV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | acyloins |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | ketonealcoholaliphatic acyclic compoundorganic oxideacyloinsecondary alcoholhydrocarbon derivativealpha-hydroxy ketone |
|---|
