| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:08:14 UTC |
|---|
| Update Date | 2025-03-25 00:35:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02081683 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O2 |
|---|
| Molecular Mass | 124.0524 |
|---|
| SMILES | CC(=C=C=O)CCC=O |
|---|
| InChI Key | RDRGWQRPVQPWRA-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 oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydehydrocarbon derivativemedium-chain aldehyde |
|---|
