input word = C00042606

Metabolite InformationStructural formula
Name Ilekudinoside M
(-)-Ilekudinoside M
Formula C41H64O13
Mw 764.43469213
CAS RN 864234-29-7
C_ID C00042606 ,
InChIKey ZCLOTHNFIJHYQX-ZXVBAPRZNA-N
InChICode InChI=1S/C41H64O13/c1-19-25(44)27(46)28(47)32(51-19)53-29-26(45)22(43)18-50-33(29)52-24-10-11-36(4)23(35(24,2)3)9-12-38(6)31(36)21(42)17-20-30-40(8,49)39(7)14-16-41(30,34(48)54-39)15-13-37(20,38)5/h19,21-29,31-33,42-47,49H,9-18H2,1-8H3/t19-,21-,22-,23-,24-,25-,26-,27+,28+,29+,31+,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1
SMILES [C@@]1(C2=C3[C@@](CC[C@@]42C(=O)O[C@]1(CC4)C)([C@]1([C@H]([C@H](C3)O)[C@@]2([C@@H](CC1)C([C@H](CC2)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)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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