| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:20 UTC |
|---|
| Update Date | 2025-03-21 18:35:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106245 |
|---|
| Frequency | 25.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | COC1=CC(C)OC1=O |
|---|
| InChI Key | KGFZDNKYZXTHTL-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 compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | enoate estercarbonyl groupcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
