input word = C00042607

Metabolite InformationStructural formula
Name Ilekudinoside N
(-)-Ilekudinoside N
Formula C42H64O14
Mw 792.42960675
CAS RN 864234-30-0
C_ID C00042607 ,
InChIKey MILRXDHSXKSHMQ-VCGDXHQQNA-N
InChICode InChI=1S/C42H64O14/c1-36(2)23-10-13-39(5)24(9-8-20-32-41(7,51)40(6)15-17-42(32,35(50)56-40)16-14-38(20,39)4)37(23,3)12-11-25(36)54-34-31(29(48)27(46)22(19-44)53-34)55-33-30(49)28(47)26(45)21(18-43)52-33/h8-9,21-31,33-34,43-49,51H,10-19H2,1-7H3/t21-,22-,23+,24-,25+,26-,27-,28+,29+,30-,31-,33+,34+,37+,38-,39-,40+,41+,42-/m1/s1
SMILES [C@@]1(C2=C3[C@@](CC[C@@]42C(=O)O[C@]1(CC4)C)([C@]1([C@H](C=C3)[C@@]2([C@@H](CC1)C([C@H](CC2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)(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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