| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:41:50 UTC |
|---|
| Update Date | 2025-03-24 14:01:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00726916 |
|---|
| Frequency | 2.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | CCC1=CC(=O)OC1=O |
|---|
| InChI Key | AXGOOCLYBPQWNG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dihydrofurans |
|---|
| Subclass | furanones |
|---|
| Direct Parent | butenolides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativesdihydrofuranshydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
|---|
| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycle2-furanoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
