input word = C00042611

Metabolite InformationStructural formula
Name Ilekudinoside R
(-)-Ilekudinoside R
Formula C41H64O13
Mw 764.43469213
CAS RN 864234-34-4
C_ID C00042611 ,
InChIKey SJXTZRXLMREHNE-GYRAJLATNA-N
InChICode InChI=1S/C41H64O13/c1-19-26(44)28(46)29(47)32(51-19)53-30-27(45)21(43)18-50-33(30)52-24-10-11-36(4)22(35(24,2)3)9-12-37(5)23(36)17-20(42)25-31-40(8,49)39(7)14-16-41(31,34(48)54-39)15-13-38(25,37)6/h19-24,26-30,32-33,42-47,49H,9-18H2,1-8H3/t19-,20+,21-,22-,23+,24-,26-,27-,28+,29+,30+,32-,33-,36-,37+,38+,39-,40-,41+/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)OC[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.
zoom in