| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:18 UTC |
|---|
| Update Date | 2025-03-25 00:46:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02158649 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H18O9 |
|---|
| Molecular Mass | 414.0951 |
|---|
| SMILES | O=c1oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2c2oc3ccccc3c12 |
|---|
| InChI Key | GCNAIVOTYIAXFL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | coumestans |
|---|
| Direct Parent | coumestans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyransacetalsangular furanocoumarinsbenzofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersprimary alcoholspyranones and derivativessecondary alcohols |
|---|
| Substituents | furanphenol ether1-benzopyranmonosaccharidelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholfuranocoumarinbenzopyranbenzofuranheteroaromatic compoundfuropyrancoumarinangular furanocoumarinoxacycleorganic oxygen compoundpyransecondary alcoholcoumestanhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
