| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:37 UTC |
|---|
| Update Date | 2025-03-25 00:48:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02170715 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O5 |
|---|
| Molecular Mass | 174.0528 |
|---|
| SMILES | COC(=O)C1OC(=O)CC1(C)O |
|---|
| InChI Key | LYAQASAGSIMDQM-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 compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersmonosaccharidesorganic oxidesoxacyclic compoundstertiary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacycletertiary alcoholsaccharideorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
