| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:53:30 UTC |
|---|
| Update Date | 2025-03-21 18:52:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00189449 |
|---|
| Frequency | 12.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O4 |
|---|
| Molecular Mass | 132.0423 |
|---|
| SMILES | OC1COC2OCC1O2 |
|---|
| InChI Key | SXUPJKKBBIBKED-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxepanes |
|---|
| Subclass | 1,3-dioxepanes |
|---|
| Direct Parent | 1,3-dioxepanes |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,3-dioxanes1,3-dioxolanescarboxylic acid orthoestershydrocarbon derivativesortho estersoxacyclic compoundssecondary alcohols |
|---|
| Substituents | alcohol1,3-dioxepanemeta-dioxolaneortho estercarboxylic acid orthoesteraliphatic heteropolycyclic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorthocarboxylic acid derivativemeta-dioxaneorganooxygen compound |
|---|
