| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 12:23:20 UTC |
|---|
| Update Date | 2025-03-24 21:36:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01832719 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O3 |
|---|
| Molecular Mass | 142.063 |
|---|
| SMILES | CC1(CO)C(=O)C=CC1O |
|---|
| InChI Key | BQPKFDFYHVYBPV-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 |
|---|
