| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:16 UTC |
|---|
| Update Date | 2025-03-21 18:04:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053363 |
|---|
| Frequency | 60.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O4 |
|---|
| Molecular Mass | 142.0266 |
|---|
| SMILES | O=C1CCC(C(=O)O)C1=O |
|---|
| InChI Key | DCIKLOCASASTIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | 1,3-dicarbonyl compounds |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carboxylic acidcyclic ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative1,3-dicarbonyl compound |
|---|
