| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:12 UTC |
|---|
| Update Date | 2025-03-25 00:50:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178955 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H24O8S |
|---|
| Molecular Mass | 400.1192 |
|---|
| SMILES | CSCC1OC(Oc2ccc(CC3CCC(=O)O3)cc2O)C(O)C(O)C1O |
|---|
| InChI Key | FQGUBSUYEJTAKP-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 estersdialkylthioethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssulfenyl compoundstetrahydrofurans |
|---|
| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharideorganosulfur compoundcarboxylic acid derivativelactonesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholsulfenyl compoundtetrahydrofurandialkylthioether1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
|---|
