| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:31 UTC |
|---|
| Update Date | 2025-03-21 17:59:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018693 |
|---|
| Frequency | 220.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H10O2 |
|---|
| Molecular Mass | 102.0681 |
|---|
| SMILES | C=CC(C)(O)CO |
|---|
| InChI Key | XZRGYMKUQMPDQH-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 | 1,2-diolshydrocarbon derivatives |
|---|
| Substituents | aliphatic acyclic compoundtertiary alcoholhydrocarbon derivative1,2-diol |
|---|
