| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:17 UTC |
|---|
| Update Date | 2025-03-21 18:38:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120641 |
|---|
| Frequency | 21.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O5 |
|---|
| Molecular Mass | 160.0372 |
|---|
| SMILES | O=C1CCC(O)C(O)C(=O)O1 |
|---|
| InChI Key | NROPCNLPGSRRQT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | lactones |
|---|
| Direct Parent | lactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxepanessecondary alcohols |
|---|
| Substituents | alcoholcaprolactonecarbonyl groupcarboxylic acid derivativelactoneoxepaneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
|---|
