| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:22 UTC |
|---|
| Update Date | 2025-03-25 00:58:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234149 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H22O2 |
|---|
| Molecular Mass | 198.162 |
|---|
| SMILES | CC(C)C(=O)C1(O)CCC(C)C(C)C1 |
|---|
| InChI Key | MZADBZNYGJBSJR-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 | cyclic alcohols and derivativeshydrocarbon derivativesketonesorganic oxidestertiary alcohols |
|---|
| Substituents | ketonecarbonyl grouptertiary alcoholorganic oxidecyclohexanolaliphatic homomonocyclic compoundhydrocarbon derivativecyclic alcohol |
|---|
