| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:49:52 UTC |
|---|
| Update Date | 2025-03-21 18:51:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00181033 |
|---|
| Frequency | 12.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H16O2 |
|---|
| Molecular Mass | 132.115 |
|---|
| SMILES | CCC(C)C(C)(O)CO |
|---|
| InChI Key | YNJHMPCMZVWUDL-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 |
|---|