input word = C00042605

Metabolite InformationStructural formula
Name Ilekudinoside L
(-)-Ilekudinoside L
Formula C41H64O14
Mw 780.42960675
CAS RN 864234-28-6
C_ID C00042605 ,
InChIKey CPQQAPBZLQCTAE-OEXGANMTNA-N
InChICode InChI=1S/C41H64O14/c1-35(2)22-8-11-37(4)23(16-19(43)25-31-40(7,50)39(6)13-15-41(31,34(49)55-39)14-12-38(25,37)5)36(22,3)10-9-24(35)53-32-29(48)30(20(44)18-51-32)54-33-28(47)27(46)26(45)21(17-42)52-33/h19-24,26-30,32-33,42-48,50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30+,32+,33+,36+,37-,38-,39+,40+,41-/m1/s1
SMILES [C@@]1(C2=C3[C@@](CC[C@@]42C(=O)O[C@]1(CC4)C)([C@]1([C@H](C[C@H]3O)[C@@]2([C@@H](CC1)C([C@H](CC2)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)(C)C)C)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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