input word = C00045461

Metabolite InformationStructural formula
Name Yesanchinoside F
(+)-Yesanchinoside F
Formula C56H94O24
Mw 1150.61350393
CAS RN 416843-88-4
C_ID C00045461 ,
InChIKey SNPBSTALMDUCRQ-MZHBWPHLNA-N
InChICode InChI=1S/C56H94O24/c1-23(2)12-11-15-56(10,80-50-45(71)41(67)37(63)31(77-50)22-73-48-43(69)40(66)36(62)29(20-57)76-48)26-13-17-54(8)34(26)27(59)18-32-53(7)16-14-33(60)52(5,6)47(53)28(19-55(32,54)9)75-51-46(42(68)38(64)30(78-51)21-72-25(4)58)79-49-44(70)39(65)35(61)24(3)74-49/h12,24,26-51,57,59-71H,11,13-22H2,1-10H3/t24-,26-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47-,48+,49-,50-,51+,53+,54+,55+,56-/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@](C)(CCC=C(C)C)O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
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