| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:37:11 UTC |
|---|
| Update Date | 2025-03-24 14:30:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00860076 |
|---|
| Frequency | 1.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O2 |
|---|
| Molecular Mass | 114.0681 |
|---|
| SMILES | CC(=CCO)CC=O |
|---|
| InChI Key | DBBGUAMGVMRMBQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-hydrogen aldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydehydrocarbon derivativeprimary alcohol |
|---|
