input word = C00008085

Metabolite InformationStructural formula
Name Brosimone B
Formula C45H44O11
Mw 760.28836225
CAS RN 123914-50-1
C_ID C00008085 ,
InChIKey COLHVNNPERBTCF-CZZCTWAQNA-N
InChICode InChI=1S/C45H44O11/c1-21(2)6-8-24-16-31(36(51)19-33(24)48)43(54)39-30(27-12-9-25(46)17-34(27)49)14-23(5)15-32(39)40-37(52)20-38-41(44(40)55)42(53)29(11-7-22(3)4)45(56-38)28-13-10-26(47)18-35(28)50/h6-7,9-10,12-13,15-20,30,32,39,46-52,55H,8,11,14H2,1-5H3/t30-,32-,39-/m1/s1
SMILES CC(C)=CCc1cc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc3oc(-c4ccc(O)cc4O)c(CC=C(C)C)c(=O)c3c2O)c(O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeBrosimopsis oblongifolia Ref.
zoom in