| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:11:03 UTC |
|---|
| Update Date | 2025-03-21 19:06:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00229695 |
|---|
| Frequency | 9.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14O2 |
|---|
| Molecular Mass | 142.0994 |
|---|
| SMILES | CCC=CC(O)CCC=O |
|---|
| InChI Key | VQIRSYSGOHKUOJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | medium-chain aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativemedium-chain aldehyde |
|---|
