| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:50 UTC |
|---|
| Update Date | 2025-03-21 18:04:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047776 |
|---|
| Frequency | 69.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H18O12 |
|---|
| Molecular Mass | 462.0798 |
|---|
| SMILES | O=C(O)C1OC(Oc2c(O)ccc3c(=O)c(-c4ccc(O)c(O)c4)coc23)C(O)C(O)C1O |
|---|
| InChI Key | WWEPLQPRRAGUJP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | isoflavonoid o-glycosides |
|---|
| Direct Parent | isoflavonoid o-glycosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidisoflavonoid-8-o-glycoside1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundisoflavonealcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundisoflavonoid o-glycosidehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
