input word = C00037296

Metabolite InformationStructural formula
Name Ilekudinoside D
Ilexoside XXVII
Ilexoside XXXVII
Formula C41H66O14
Mw 782.44525682
CAS RN 147235-21-0
C_ID C00037296 ,
InChIKey OQQOYQUBUVPAAU-LSDMWJJLNA-N
InChICode InChI=1S/C41H66O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,20,22-34,42-49,51H,8-19H2,1-6H3/t20-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,36-,37+,38-,39-,40-,41+/m1/s1
SMILES C1[C@@H]([C@]([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CO)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex integra Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
PlantaeRubiaceaeRandia formosa Ref.
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