input word = C00055500

Metabolite InformationStructural formula
Name Chikusetsusaponin LT8
Formula C42H70O13
Mw 782.48164232
CAS RN 69359-06-4
C_ID C00055500
InChIKey HCPFJGARSDINCS-XECQIVPBSA-N
InChICode InChI=1S/C42H70O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22,24-37,43-44,46-51H,9,11-20H2,1-8H3/t22-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
SMILES O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2C(C)(C)[C@@](CC[C@]([C@@]3(C)[C@@]4([H])[C@@]([H])([C@@](CC/C=C(C)/C)(C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)CC3)(C)[C@]6([H])CC4=O)([H])[C@]6(C)CC2)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
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