input word = C00046698

Metabolite InformationStructural formula
Name Cyclopassifloside III
(+)-Cyclopassifloside III
Formula C43H72O16
Mw 844.48203625
CAS RN 292167-40-9
C_ID C00046698 ,
InChIKey NUJWBDOJBSCJEG-LOCUBITNNA-N
InChICode InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3/t21-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39+,40+,41+,42-,43-/m1/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@]3([C@H]1O)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CC[C@](C(C)C)(CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)C3)(C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePassifloraceaePassiflora edulis Ref.
zoom in