input word = C00033050

Metabolite InformationStructural formula
Name Ilekudinoside K
Formula C42H64O13
Mw 776.43469213
CAS RN 864234-27-5
C_ID C00033050 ,
InChIKey HUXPVJXIFQCKMO-HHPZNNITNA-N
InChICode InChI=1S/C42H64O13/c1-20-26(44)28(46)30(48)33(51-20)54-31-29(47)27(45)22(19-43)52-34(31)53-25-12-13-37(4)23(36(25,2)3)11-14-39(6)24(37)10-9-21-32-41(8,50)40(7)16-18-42(32,35(49)55-40)17-15-38(21,39)5/h9-10,20,22-31,33-34,43-48,50H,11-19H2,1-8H3/t20-,22+,23-,24+,25-,26-,27+,28+,29-,30+,31+,33-,34-,37-,38+,39+,40-,41-,42+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5C=CC6=C7[C@]8(CC[C@](C)(OC8=O)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
zoom in