input word = C00031560

Metabolite InformationStructural formula
Name Acantrifoside C
Formula C50H78O21
Mw 1014.50355956
CAS RN 654663-86-2
C_ID C00031560 ,
InChIKey VMUGZJFPIUEICT-IRCFYZTENA-N
InChICode InChI=1S/C50H78O21/c1-21(18-51)24-10-15-50(17-16-47(5)25(31(24)50)8-9-28-46(4)13-12-30(67-23(3)53)49(7,44(62)63)29(46)11-14-48(28,47)6)45(64)71-43-38(60)35(57)33(55)27(69-43)20-65-41-39(61)36(58)40(26(19-52)68-41)70-42-37(59)34(56)32(54)22(2)66-42/h22,24-43,51-52,54-61H,1,8-20H2,2-7H3,(H,62,63)/t22-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,46+,47+,48+,49-,50-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H]([C@@]3(C)C(=O)O)OC(=O)C)C)C)C)(CC[C@H]2C(=C)CO)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
zoom in



OrganismAcanthopanax trifoliatus
ReferenceKiem,Chem.Pharm.Bull.,51,(2003),1432