| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:15:37 UTC |
|---|
| Update Date | 2025-03-24 21:59:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01956314 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | CC=C1CC(=O)OC1=O |
|---|
| InChI Key | FMEYPAIIOVKZRA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | carbonyl grouptetrahydrofuranlactoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
