input word = C00032789

Metabolite InformationStructural formula
Name Bugbanoside F
(-)-Bugbanoside F
Formula C35H54O10
Mw 634.37169795
CAS RN 340258-14-2
C_ID C00032789 ,
InChIKey BMKNOSRJCLLJRG-MCWDLWISNA-N
InChICode InChI=1S/C35H54O10/c1-16-12-18-26(30(4,5)41)45-35(44-18)25(16)32(7)21(37)13-34-15-33(34)11-10-22(43-27-24(39)23(38)17(36)14-42-27)29(2,3)19(33)8-9-20(34)31(32,6)28(35)40/h9,16-19,21-28,36-41H,8,10-15H2,1-7H3/t16-,17+,18-,19+,21-,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
SMILES C[C@@H]1C[C@H]2OC3(O[C@@H]2C(C)(C)O)[C@H]1[C@@]1(C)[C@H](O)C[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga simplex WORMSK. Ref.
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