| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:47 UTC |
|---|
| Update Date | 2025-03-25 00:56:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219344 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H30O12 |
|---|
| Molecular Mass | 486.1737 |
|---|
| SMILES | COc1cc(C2C(O)C(OC3OC(CO)C(O)C(O)C3O)C3COC(=O)C32)cc(OC)c1OC |
|---|
| InChI Key | OMSSXBGRXQPOAS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | anisoles |
|---|
| Direct Parent | anisoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl etherscarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupethermonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofurancyclic alcoholmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
