| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:29 UTC |
|---|
| Update Date | 2025-03-21 18:41:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135139 |
|---|
| Frequency | 18.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H18O2 |
|---|
| Molecular Mass | 158.1307 |
|---|
| SMILES | CC1CC(C)CC(O)(CO)C1 |
|---|
| InChI Key | XZJIQKVPYBDGTB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscyclic alcohols and derivativeshydrocarbon derivativestertiary alcohols |
|---|
| Substituents | tertiary alcoholcyclohexanolaliphatic homomonocyclic compoundhydrocarbon derivativecyclic alcohol1,2-diol |
|---|
