input word = C00060238

Metabolite InformationStructural formula
Name Malonylginsenoside Rg1
Formula C45H74O17
Mw 886.49260094
CAS RN 163403-94-9
C_ID C00060238
InChIKey YBQOLFRVPRVASB-CYLVDRAXSA-N
InChICode InChI=1S/C45H74O17/c1-21(2)10-9-13-45(8,62-40-37(57)34(54)32(52)25(19-46)60-40)22-11-15-43(6)31(22)23(47)16-27-42(5)14-12-28(48)41(3,4)38(42)24(18-44(27,43)7)59-39-36(56)35(55)33(53)26(61-39)20-58-30(51)17-29(49)50/h10,22-28,31-40,46-48,52-57H,9,11-20H2,1-8H3,(H,49,50)/t22-,23+,24-,25+,26+,27+,28-,31-,32+,33+,34-,35-,36+,37+,38-,39+,40-,42+,43+,44+,45-/m0/s1
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
zoom in