| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:27:34 UTC |
|---|
| Update Date | 2025-03-24 21:11:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01700275 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O3 |
|---|
| Molecular Mass | 140.0473 |
|---|
| SMILES | O=CC1=CC(=O)CC(O)C1 |
|---|
| InChI Key | CDLIVVFERPYQSL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclohexenones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | aldehydeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholcyclohexenonealdehydeorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
