input word = C00045440

Metabolite InformationStructural formula
Name Vina-Ginsenoside R6
Formula C47H80O19
Mw 948.52938038
CAS RN 156009-82-4
C_ID C00045440 ,
InChIKey MGROSLQKCJXSBT-UHFFFAOYNA-N
InChICode InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3/t20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41+,44-,45-,46+,47-/m0/s1
SMILES CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OCC(O)C(O)C4O)CC23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
zoom in