input word = C00049560

Metabolite InformationStructural formula
Name Ilekudinoside C
(+)-Ilekudinoside C
Formula C41H66O14
Mw 782.44525682
CAS RN 243635-62-3
C_ID C00049560 ,
InChIKey JEUZHXDEBVXESF-SNSCUDGENA-N
InChICode InChI=1S/C41H66O14/c1-19-9-12-41(36(51)55-35-32(50)30(48)29(47)24(16-42)53-35)14-13-39(5)21(27(41)20(19)2)7-8-26-37(3)15-22(44)33(54-34-31(49)28(46)23(45)17-52-34)38(4,18-43)25(37)10-11-40(26,39)6/h7,19-20,22-35,42-50H,8-18H2,1-6H3/t19-,20+,22-,23+,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40-,41+/m1/s1
SMILES [C@H]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@H]([C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
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