input word = C00042610

Metabolite InformationStructural formula
Name Ilekudinoside Q
(-)-Ilekudinoside Q
Formula C42H66O14
Mw 794.44525682
CAS RN 864234-33-3
C_ID C00042610 ,
InChIKey YNPIRUFVCDLNLN-KPGQWXDCNA-N
InChICode InChI=1S/C42H66O14/c1-19-26(45)28(47)30(49)33(52-19)55-31-29(48)27(46)21(18-43)53-34(31)54-24-10-11-37(4)22(36(24,2)3)9-12-38(5)23(37)17-20(44)25-32-41(8,51)40(7)14-16-42(32,35(50)56-40)15-13-39(25,38)6/h19-24,26-31,33-34,43-49,51H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24-,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[C@@H](O)C6=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.
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