| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:43 UTC |
|---|
| Update Date | 2025-03-25 00:47:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164061 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18O2 |
|---|
| Molecular Mass | 182.1307 |
|---|
| SMILES | CC1=C(C(O)CC(C)C)C(=O)CC1 |
|---|
| InChI Key | HUUPQXXORVUDNI-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 homomonocyclic compounds |
|---|
| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketonecarbonyl grouporganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketone |
|---|
