input word = C00061552

Metabolite InformationStructural formula
Name Ginsenoside Re2
Formula C48H82O19
Mw 962.54503044
CAS RN 350586-57-1
C_ID C00061552
InChIKey VFRFTROKXBCTHW-VIFTWHOHSA-N
InChICode InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)35(58)32(55)26(19-50)65-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-42-38(61)39(33(56)27(20-51)64-42)66-41-36(59)34(57)31(54)25(18-49)63-41/h10,22-43,49-61H,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+,43-,45+,46+,47+,48-/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(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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