| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:27 UTC |
|---|
| Update Date | 2025-03-25 00:58:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232021 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O3 |
|---|
| Molecular Mass | 154.063 |
|---|
| SMILES | CC1=CCC(C(=O)O)C(=O)C1 |
|---|
| InChI Key | BQUILGWCKQQLLX-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 | 1,3-dicarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | cyclohexenonecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound |
|---|
