input word = C00031098

Metabolite InformationStructural formula
Name Pseudoginsenoside F8
Formula C55H92O23
Mw 1120.60293925
CAS RN 69884-01-1
C_ID C00031098 ,
InChIKey VMKOUWNWNQIQSO-UHFFFAOYNA-N
InChICode InChI=1S/C55H92O23/c1-25(2)12-10-16-54(9,78-48-44(69)40(65)37(62)30(74-48)24-72-46-42(67)35(60)27(58)22-71-46)55-17-11-15-53(55,8)52(7)19-13-31-50(4,5)34(14-18-51(31,6)32(52)20-33(55)59)76-49-45(41(66)38(63)29(75-49)23-70-26(3)57)77-47-43(68)39(64)36(61)28(21-56)73-47/h12,27-49,56,58-69H,10-11,13-24H2,1-9H3/t27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,43+,44+,45+,46+,47+,48-,49-,51-,52+,53-,54+,55-/m1/s1
SMILES CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3(C(C)(CCC=C(C)C)OC5OC(COC6OCC(O)C(O)C6O)C(O)C(O)C5O)CCCC43C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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