| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:33 UTC |
|---|
| Update Date | 2025-03-21 18:28:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00070674 |
|---|
| Frequency | 42.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26O11 |
|---|
| Molecular Mass | 418.1475 |
|---|
| SMILES | COc1cc(CC(COC2OC(C(=O)O)C(O)C(O)C2O)C(O)CO)ccc1O |
|---|
| InChI Key | DUNHELJGLRDJOA-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 benzenoidsacetalsalkyl aryl ethersalkyl glycosidesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundalkyl glycoside |
|---|
