| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:06 UTC |
|---|
| Update Date | 2025-03-21 18:32:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00091021 |
|---|
| Frequency | 30.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H26O11 |
|---|
| Molecular Mass | 430.1475 |
|---|
| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC)c1OC1OC(C(O)O)C(O)C(O)C1O |
|---|
| InChI Key | QBYSSTYKKLOYTQ-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 | acetalsalkyl aryl ethersalkyl glycosidesanisolescarbonyl compoundscarbonyl hydratescarboxylic acid estersdimethoxybenzenesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
|---|
