| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:19:28 UTC |
|---|
| Update Date | 2025-03-25 00:14:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01250946 |
|---|
| Frequency | 1.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | CCC(=O)C(C)=CCO |
|---|
| InChI Key | IBLNJXTVOUTWLY-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 compoundsalpha-branched alpha,beta-unsaturated ketonesenoneshydrocarbon derivativesketonesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholhydrocarbon derivativeacryloyl-groupprimary alcoholorganooxygen compoundenone |
|---|
