| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:34 UTC |
|---|
| Update Date | 2025-03-25 01:00:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02246137 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O4 |
|---|
| Molecular Mass | 226.1205 |
|---|
| SMILES | CC12CCC(=O)C=C1CCC2(O)C(O)CO |
|---|
| InChI Key | MSPIVDDPXFJCSF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclohexenones |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | cyclic alcohols and derivativeshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholcyclohexenonecyclic alcoholaliphatic homopolycyclic compoundtertiary alcoholorganic oxidesecondary alcoholhydrocarbon derivativeprimary alcohol |
|---|
