| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:52 UTC |
|---|
| Update Date | 2025-03-25 00:53:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02203216 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O8 |
|---|
| Molecular Mass | 248.0532 |
|---|
| SMILES | O=C(O)CC1(C(=O)O)CC(=O)C(C(O)CO)O1 |
|---|
| InChI Key | LSVWDCYLOFXMKL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | dihydrofurans |
|---|
| Subclass | furanones |
|---|
| Direct Parent | furanones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarboxylic acidscyclic ketonesdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholcarbonyl groupethercarboxylic acidtetrahydrofurancyclic ketonecarboxylic acid derivativedialkyl etherketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary alcohol3-furanoneorganooxygen compound1,2-diol |
|---|
