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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O)(C/C=C/C(C)(C)OO)C)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax notoginseng Ref.
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