input word = C00032935

Metabolite InformationStructural formula
Name Elatoside F
Tarasaponin VII
Formula C52H84O21
Mw 1044.55050975
CAS RN 144118-18-3
C_ID C00032935 ,
InChIKey MLIQJRVPWRKGIO-VPCLYCDRNA-N
InChICode InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
SMILES [C@@H]12[C@@]([C@@H]3[C@@](CC2)([C@]2(C(=CC3)[C@H]3[C@](CC2)(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCC(C3)(C)C)C)C)(CC[C@@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
zoom in