| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:43 UTC |
|---|
| Update Date | 2025-03-21 18:03:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042647 |
|---|
| Frequency | 80.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H32O14 |
|---|
| Molecular Mass | 532.1792 |
|---|
| SMILES | CC1OC(OCC2OC(Oc3c(O)cc(CC4CCC(=O)O4)cc3O)C(O)C(O)C2O)C(O)C(O)C1O |
|---|
| InChI Key | OZELPZDFRIYRDD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acyl glycosides |
|---|
| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsresorcinolssecondary alcoholstetrahydrofurans |
|---|
| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinollactonesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
|---|
