input word = C00030258

Metabolite InformationStructural formula
Name Floralginsenoside E
(+)-Floralginsenoside E
Formula C42H72O15
Mw 816.48712163
CAS RN 942587-00-0
C_ID C00030258 ,
InChIKey AYMHVZBATCNDEX-FOVQYVHPNA-N
InChICode InChI=1S/C42H72O15/c1-37(2,57-52)13-9-14-42(8,51)21-10-16-41(7)28(21)22(45)18-26-39(5)15-12-27(38(3,4)25(39)11-17-40(26,41)6)55-36-34(32(49)30(47)24(20-44)54-36)56-35-33(50)31(48)29(46)23(19-43)53-35/h9,13,21-36,43-52H,10-12,14-20H2,1-8H3/b13-9+/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
SMILES CC(C)(/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax notoginseng Ref.
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