| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 17:08:54 UTC |
|---|
| Update Date | 2025-03-25 01:43:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02499811 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | O=C1OC2CCCC1O2 |
|---|
| InChI Key | FDTQYEHORIQWRC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | lactones |
|---|
| Direct Parent | lactones |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,3-dioxolanesacetalscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesoxepanes |
|---|
| Substituents | meta-dioxolanecaprolactonecarbonyl groupcarboxylic acid derivativelactonealiphatic heteropolycyclic compoundoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esterhydrocarbon derivativeoxaneorganooxygen compound |
|---|
