| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 12:13:11 UTC |
|---|
| Update Date | 2025-03-24 21:32:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01808958 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O4 |
|---|
| Molecular Mass | 130.0266 |
|---|
| SMILES | O=C1CC2OC2(CO)O1 |
|---|
| InChI Key | RQICQOBOHYVBOZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxanes |
|---|
| Subclass | 1,3-dioxanes |
|---|
| Direct Parent | 1,3-dioxanes |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | alcohols and polyolscarbonyl compoundscarboxylic acid estersepoxidesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofuranoxiranecarboxylic acid derivativegamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativemeta-dioxaneorganooxygen compound |
|---|
