input word = C00024137

Metabolite InformationStructural formula
Name Pseudo-ginsenoside F11
Formula C42H72O14
Mw 800.49220701
CAS RN 102805-33-4
C_ID C00024137 ,
InChIKey JBGYSAVRIDZNKA-MVJRMGIJNA-N
InChICode InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,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@@](C[C@@H]2O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@]1(O[C@@H](CC1)C(C)(O)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng Ref.
PlantaeAraliaceaePanax quinquefolium L. Ref.
--Pinax spp Ref.
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OrganismPanax quinquefolium L.
ReferenceNakamura,Chem.Pharm.Bull.,55,(2007),1342