| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:59:28 UTC |
|---|
| Update Date | 2025-03-24 21:25:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01776249 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O4 |
|---|
| Molecular Mass | 130.0266 |
|---|
| SMILES | O=C1CC2OC(O)C2O1 |
|---|
| InChI Key | PJCVLHYKAQFNSE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxepanes |
|---|
| Subclass | 1,4-dioxepanes |
|---|
| Direct Parent | 1,4-dioxepanes |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanestetrahydrofurans |
|---|
| Substituents | carbonyl grouptetrahydrofuran1,4-dioxepanecarboxylic acid derivativegamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanehemiacetalhydrocarbon derivativeorganooxygen compound |
|---|
