| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:30 UTC |
|---|
| Update Date | 2025-03-21 17:59:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00020895 |
|---|
| Frequency | 192.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H16O |
|---|
| Molecular Mass | 116.1201 |
|---|
| SMILES | CCC(O)(CC)CC |
|---|
| InChI Key | XKIRHOWVQWCYBT-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 | hydrocarbon derivatives |
|---|
| Substituents | aliphatic acyclic compoundtertiary alcoholhydrocarbon derivative |
|---|
