input word = C00059500

Metabolite InformationStructural formula
Name Ginsenoside Re4
Formula C47H80O18
Mw 932.53446575
CAS RN 1255210-79-7
C_ID C00059500
InChIKey YEGODGHIXCTKCQ-DJTSXUJQSA-N
InChICode InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-42-38(59)35(56)33(54)27(64-42)20-60-40-36(57)32(53)26(19-49)62-40)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(51)43(3,4)39(44)24(17-46(28,45)7)61-41-37(58)34(55)31(52)25(18-48)63-41/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38+,39-,40+,41+,42-,44+,45+,46+,47-/m0/s1
SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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