| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:33 UTC |
|---|
| Update Date | 2025-03-21 18:00:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025594 |
|---|
| Frequency | 150.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H22O9 |
|---|
| Molecular Mass | 418.1264 |
|---|
| SMILES | O=C(CCc1ccc(O)cc1)c1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | FBOGCMLYWMLBFL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavonoid glycosides |
|---|
| Direct Parent | flavonoid o-glycosides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonescarboxylic acidscinnamylphenolsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecinnamylphenolcarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcohollinear 1,3-diarylpropanoidpyran carboxylic acid or derivativeshydroxy acidflavonoid o-glycosidephenylketonebutyrophenoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
|---|
