| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:05 UTC |
|---|
| Update Date | 2025-03-21 17:59:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00024488 |
|---|
| Frequency | 159.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H18O11 |
|---|
| Molecular Mass | 446.0849 |
|---|
| SMILES | O=C(O)C1OC(Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3cc2O)C(O)C(O)C1O |
|---|
| InChI Key | JYGHBQFTNGZQLZ-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 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 benzenoidisoflavonoid-7-o-glycosidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundisoflavonealcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundisoflavonoid o-glycosidehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
