input word = C00031678

Metabolite InformationStructural formula
Name Cimiaceroside B
Formula C35H56O9
Mw 620.39243339
CAS RN 210643-84-8
C_ID C00031678 ,
InChIKey RQTXEZTYXQREQG-WLXXXZPLNA-N
InChICode InChI=1S/C35H56O9/c1-17-23-19(43-35(40)26(17)44-30(4,5)28(35)39)14-32(7)21-9-8-20-29(2,3)22(42-27-25(38)24(37)18(36)15-41-27)10-11-33(20)16-34(21,33)13-12-31(23,32)6/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,23-,24-,25+,26+,27-,28+,31+,32-,33+,34-,35+/m0/s1
SMILES C[C@H]1[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O[C@@]2(O)[C@@H]1OC(C)(C)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeSouliea vaginata Ref.
zoom in