Details of Bavacoumestan B
| IUPAC | 16-hydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-one |
| Canonical Smiles | CC(C)(C1CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)O)O |
| Inchi | PUGPPUXRVZRDGR-UHFFFAOYSA-N |
| PubChem ID | 5321820 |
| Smiles | Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/Oc1cc2c%28cc1C1OCC3C%28c4ccc5c%28c4%29OCO5%29OCC13%29OCO2/file?format=sdf&get3d=True -- Oc1cc2c%28cc1C1OCC3C%28c4ccc5c%28c4%29OCO5%29OCC13%29OCO2 could not be loaded.
| Class | Coumestan |
| Super Class | Isoflavonoids |
| Pathways | Shikimates and Phenylpropanoids |
