| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:12 UTC |
|---|
| Update Date | 2025-03-25 00:59:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02240556 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O5 |
|---|
| Molecular Mass | 172.0372 |
|---|
| SMILES | O=C1OCC2C1C(=O)C(O)C2O |
|---|
| InChI Key | BYWSQNPJQMORIC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1,3-dicarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl grouptetrahydrofurancyclic alcoholcarboxylic acid derivativegamma butyrolactoneketonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound1,2-diol |
|---|
