| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:31 UTC |
|---|
| Update Date | 2025-03-21 17:59:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023163 |
|---|
| Frequency | 170.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O2 |
|---|
| Molecular Mass | 128.0837 |
|---|
| SMILES | CC(O)CCC=CC=O |
|---|
| InChI Key | HCDSZSLQFBDFCH-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 | hydrocarbon derivativesmedium-chain aldehydesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupaldehydemedium-chain aldehydeorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
