| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:27:21 UTC |
|---|
| Update Date | 2025-03-25 01:26:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02402347 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O2 |
|---|
| Molecular Mass | 124.0524 |
|---|
| SMILES | C=C1C=CC(=O)CC1O |
|---|
| InChI Key | AIZSBSTWYOMEMI-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 | hydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholcyclohexenoneorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
|---|
