input word = C00060455

Metabolite InformationStructural formula
Name Notoginsenoside SP11
Formula C42H72O15
Mw 816.48712163
CAS RN 1801723-31-8
C_ID C00060455
InChIKey VFWRZMCRAIUAGG-BQBBWZJMSA-N
InChICode InChI=1S/C42H72O15/c1-19(15-22(46)35(52)39(4,5)53)20-9-13-42(8)28(20)21(45)16-26-40(6)12-11-27(38(2,3)25(40)10-14-41(26,42)7)56-37-34(32(50)30(48)24(18-44)55-37)57-36-33(51)31(49)29(47)23(17-43)54-36/h15,20-37,43-53H,9-14,16-18H2,1-8H3/b19-15+/t20-,21-,22+,23-,24-,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,40+,41-,42-/m1/s1
SMILES CC(=CC(O)C(O)C(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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