| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:38:04 UTC |
|---|
| Update Date | 2025-03-24 20:50:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01581901 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H6O3 |
|---|
| Molecular Mass | 114.0317 |
|---|
| SMILES | OC1C2OC2C2OC12 |
|---|
| InChI Key | YNIJQHJVZBKBOB-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 | cyclic alcohols and derivativesdialkyl ethersepoxideshydrocarbon derivativesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholether1,4-dioxepaneoxiranecyclic alcoholdialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeoxaneorganooxygen compound |
|---|
