input word = C00042608

Metabolite InformationStructural formula
Name Ilekudinoside O
(-)-Ilekudinoside O
Formula C41H62O13
Mw 762.41904207
CAS RN 864234-31-1
C_ID C00042608 ,
InChIKey CGEDPMJJFSNINK-LLRPDTQBNA-N
InChICode InChI=1S/C41H62O13/c1-35(2)23-10-13-38(5)24(9-8-20-31-40(7,49)39(6)15-17-41(31,34(48)54-39)16-14-37(20,38)4)36(23,3)12-11-25(35)52-33-30(26(44)21(43)19-50-33)53-32-29(47)28(46)27(45)22(18-42)51-32/h8-9,21-30,32-33,42-47,49H,10-19H2,1-7H3/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30+,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1
SMILES CC1(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C=CC4=C5[C@]6(CC[C@](C)(OC6=O)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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