input word = C00031118

Metabolite InformationStructural formula
Name Quinquenoside III
Formula C50H84O19
Mw 988.5606805
CAS RN 208764-53-8
C_ID C00031118 ,
InChIKey FTUHDNOGLPOCNN-XMTVKWOPNA-N
InChICode InChI=1S/C50H84O19/c1-23(2)12-11-16-49(9,69-43-38(60)35(57)33(55)27(21-51)64-43)25-13-18-48(8)32(25)26(54)20-30-46(6)17-15-31(45(4,5)29(46)14-19-47(30,48)7)65-44-40(36(58)39(61)42(66-44)63-24(3)53)68-50(10)41(62)37(59)34(56)28(22-52)67-50/h12,25-44,51-52,54-62H,11,13-22H2,1-10H3/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40+,41+,42-,43-,44+,46-,47+,48+,49-,50-/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@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CCC=C(C)C)C)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
PlantaeAraliaceaePanax quinquefolium L. Ref.
zoom in