| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:32 UTC |
|---|
| Update Date | 2025-03-21 18:00:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025560 |
|---|
| Frequency | 150.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H18O12 |
|---|
| Molecular Mass | 462.0798 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccc3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O |
|---|
| InChI Key | KEXRKZIDRIGKNB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavonoid glycosides |
|---|
| Direct Parent | flavonoid-7-o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-7-o-glycosidesflavonoidsflavonolsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
|---|
| Substituents | 3-hydroxyflavonephenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundflavonoid-7-o-glycosidealcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
