input word = C00034165

Metabolite InformationStructural formula
Name Polygalasaponin XLVII
(+)-Polygalasaponin XLVII
Formula C42H68O16
Mw 828.45073613
CAS RN 1033593-13-3
C_ID C00034165 ,
InChIKey RIVOOHXKHNGREM-ZAUBQLAMNA-N
InChICode InChI=1S/C42H68O16/c1-37(20-55-35-33(31(51)29(49)24(17-44)57-35)58-34-32(52)30(50)28(48)23(16-43)56-34)11-12-41(36(53)54)13-14-42(19-46)21(22(41)15-37)5-6-26-38(2)9-8-27(47)39(3,18-45)25(38)7-10-40(26,42)4/h5,22-35,43-52H,6-20H2,1-4H3,(H,53,54)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,37+,38-,39-,40+,41-,42-/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@@](C1)(C)CO[C@H]1[C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)O)CO)C)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala japonica Ref.
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