input word = C00060267

Metabolite InformationStructural formula
Name Ginsenoside mRf
Formula C45H74O17
Mw 886.49260094
CAS RN 1654757-76-2
C_ID C00060267
InChIKey YXTDIKURRYLWJF-MNYRRJMLSA-N
InChICode InChI=1S/C45H74O17/c1-21(2)10-9-13-45(8,57)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)59-40-37(35(55)32(52)25(19-46)60-40)62-39-36(56)34(54)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)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(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.
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