| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:42 UTC |
|---|
| Update Date | 2025-03-21 18:32:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00090020 |
|---|
| Frequency | 31.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O4 |
|---|
| Molecular Mass | 146.0579 |
|---|
| SMILES | CC1(O)CC(=O)OC1CO |
|---|
| InChI Key | CNRSIWAWFDTJSG-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 derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholstertiary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacycletertiary alcoholsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
