| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:37 UTC |
|---|
| Update Date | 2025-03-25 01:01:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248509 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18O3 |
|---|
| Molecular Mass | 198.1256 |
|---|
| SMILES | C=CC1(C)CCC(OC(C)=O)C(O)C1 |
|---|
| InChI Key | RBLGYNUMVBXUPB-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 | carbonyl compoundscarboxylic acid esterscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcyclohexanolcyclic alcoholcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivative |
|---|