input word = C00056835

Metabolite InformationStructural formula
Name Pseudoginsenoside RS1
Formula C50H84O19
Mw 988.5606805
CAS RN 106533-58-8
C_ID C00056835
InChIKey QKDFXHKCEBRIBS-FWHCNOIFSA-N
InChICode InChI=1S/C50H84O19/c1-22(2)12-11-15-50(10,69-44-40(62)37(59)34(56)28(20-51)66-44)25-13-17-48(8)32(25)26(53)18-30-47(7)16-14-31(54)46(5,6)42(47)27(19-49(30,48)9)65-45-41(38(60)35(57)29(67-45)21-63-24(4)52)68-43-39(61)36(58)33(55)23(3)64-43/h12,23,25-45,51,53-62H,11,13-21H2,1-10H3/t23-,25-,26+,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43-,44-,45+,47+,48+,49+,50-/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@](C)(CCC=C(C)C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax sp. Ref.
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