| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:17 UTC |
|---|
| Update Date | 2025-03-21 18:35:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106124 |
|---|
| Frequency | 25.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O3 |
|---|
| Molecular Mass | 116.0473 |
|---|
| SMILES | CC1COCC(=O)O1 |
|---|
| InChI Key | KKLUNULDFDFHOG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dioxanes |
|---|
| Subclass | 1,4-dioxanes |
|---|
| Direct Parent | 1,4-dioxanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | carbonyl groupethercarboxylic acid derivativedialkyl etherlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxanecarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
