| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:28:30 UTC |
|---|
| Update Date | 2025-03-25 01:26:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02405107 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O2 |
|---|
| Molecular Mass | 126.0681 |
|---|
| SMILES | CC1(C)C(=O)C=CC1O |
|---|
| InChI Key | KXXNPFCWUOVVNF-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 |
|---|
