input word = C00033336

Metabolite InformationStructural formula
Name Quadranoside XI
(+)-Quadranoside XI
Formula C43H62O15
Mw 818.40887131
CAS RN 297141-64-1
C_ID C00033336 ,
InChIKey OHUCMEOCVKIRLM-NDTIXMCPNA-N
InChICode InChI=1S/C43H62O15/c1-19(2)21-9-10-43(38(55)58-37-33(52)32(51)31(50)27(17-44)57-37)12-11-41(5)22(29(21)43)7-8-28-39(3)15-26(48)35(53)40(4,34(39)25(47)16-42(28,41)6)18-56-36(54)20-13-23(45)30(49)24(46)14-20/h13-14,21-22,25-29,31-35,37,44-53H,1,7-12,15-18H2,2-6H3/t21-,22+,25+,26+,27+,28+,29-,31+,32-,33+,34+,35-,37-,39+,40-,41+,42+,43-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)c6cc(O)c(O)c(O)c6)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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