| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:25:38 UTC |
|---|
| Update Date | 2025-03-25 01:25:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02398303 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | O=C1CC=C(C(=O)O)C1 |
|---|
| InChI Key | JXSHTFUNEMQZHC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | cyclic ketones |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | organic oxidemonocarboxylic acid or derivativescarboxylic acidaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonecarboxylic acid derivative |
|---|
