| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:14 UTC |
|---|
| Update Date | 2025-03-21 17:56:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004402 |
|---|
| Frequency | 1278.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H12O2 |
|---|
| Molecular Mass | 104.0837 |
|---|
| SMILES | CC(O)C(C)CO |
|---|
| InChI Key | GNBPEYCZELNJMS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | secondary alcohols |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesprimary alcohols |
|---|
| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivativeprimary alcohol |
|---|
