| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:19 UTC |
|---|
| Update Date | 2025-03-21 18:29:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077328 |
|---|
| Frequency | 38.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O2 |
|---|
| Molecular Mass | 114.0681 |
|---|
| SMILES | CCC=CC(=O)CO |
|---|
| InChI Key | IQPSGXTUSZUIMJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty alcohols |
|---|
| Direct Parent | fatty alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalcohols and polyolsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
