| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:23:39 UTC |
|---|
| Update Date | 2025-03-21 22:17:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00541342 |
|---|
| Frequency | 3.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12O2 |
|---|
| Molecular Mass | 140.0837 |
|---|
| SMILES | C=CC1(O)CCC(=O)CC1 |
|---|
| InChI Key | FVLPRWMTJOCUQB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | tertiary alcohols |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesorganic oxides |
|---|
| Substituents | ketonecarbonyl grouptertiary alcoholorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonecyclic alcohol |
|---|
