input word = C00049564

Metabolite InformationStructural formula
Name Ilekudinoside J
(-)-Ilekudinoside J
Formula C42H66O15
Mw 810.44017144
CAS RN 243635-71-4
C_ID C00049564 ,
InChIKey GGHRDGJZGQVBOX-NXVVBHIINA-N
InChICode InChI=1S/C42H66O15/c1-36(2)22-8-11-38(4)23(16-19(45)25-32-41(7,52)40(6)13-15-42(32,35(51)57-40)14-12-39(25,38)5)37(22,3)10-9-24(36)55-34-31(29(49)27(47)21(18-44)54-34)56-33-30(50)28(48)26(46)20(17-43)53-33/h19-24,26-31,33-34,43-50,52H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24+,26-,27-,28+,29+,30-,31-,33+,34+,37+,38-,39-,40+,41-,42-/m1/s1
SMILES CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@@H](O)C4=C5[C@]6(CC[C@](C)(OC6=O)[C@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
zoom in