| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 06:46:45 UTC |
|---|
| Update Date | 2025-03-24 17:58:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01026314 |
|---|
| Frequency | 1.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O4 |
|---|
| Molecular Mass | 144.0423 |
|---|
| SMILES | O=C1OC2COC(C2)C1O |
|---|
| InChI Key | BILFQFFHQVOWFX-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 estersdelta valerolactonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl groupethertetrahydrofurandelta valerolactone1,4-dioxepanecarboxylic acid derivativedialkyl etherlactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
|---|
