| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:40 UTC |
|---|
| Update Date | 2025-03-21 18:03:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044958 |
|---|
| Frequency | 75.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O2 |
|---|
| Molecular Mass | 100.0524 |
|---|
| SMILES | C=CC(C)(O)C=O |
|---|
| InChI Key | ZIVBFCKAZCKNIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxyaldehydeshydrocarbon derivativesorganic oxidesshort-chain aldehydes |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxideshort-chain aldehydealpha-hydroxyaldehydealdehydehydrocarbon derivative |
|---|
