| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:35 UTC |
|---|
| Update Date | 2025-03-25 00:45:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150141 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4 |
|---|
| Molecular Mass | 160.0736 |
|---|
| SMILES | OCC(O)C1OC2COC1C2 |
|---|
| InChI Key | NYGGHAOPDVKKFC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxanes |
|---|
| Subclass | 1,4-dioxanes |
|---|
| Direct Parent | 1,4-dioxanes |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsdialkyl ethershydrocarbon derivativesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholethertetrahydrofurandialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxygen compoundpara-dioxanesecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
|---|
