| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:05 UTC |
|---|
| Update Date | 2025-03-25 00:55:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02215373 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O8 |
|---|
| Molecular Mass | 276.0845 |
|---|
| SMILES | CC1OC(OC(=O)C2CCC(=O)O2)C(O)C(O)C1O |
|---|
| InChI Key | IFJIPGHOHYQUBU-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 | acetalscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacyclesaccharideorganic oxideorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneorganooxygen compound |
|---|
