| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:58 UTC |
|---|
| Update Date | 2025-03-25 00:58:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02233203 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C25H36O14 |
|---|
| Molecular Mass | 560.2105 |
|---|
| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O |
|---|
| InChI Key | YQKQIJZCDBXCIS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl etherscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesoxepanesphenoxy compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideacetalhemiacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
