| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:31:00 UTC |
|---|
| Update Date | 2025-03-21 18:41:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00136334 |
|---|
| Frequency | 18.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O3 |
|---|
| Molecular Mass | 144.0786 |
|---|
| SMILES | CC(C)C1(O)COC(=O)C1 |
|---|
| InChI Key | VPTXOSCXKVSWNE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
