input word = C00042609

Metabolite InformationStructural formula
Name Ilekudinoside P
(-)-Ilekudinoside P
Formula C41H62O13
Mw 762.41904207
CAS RN 864234-32-2
C_ID C00042609 ,
InChIKey LONTYZCTTHPBLF-RMRQVZBXNA-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)52-32-29(47)30(21(43)19-50-32)53-33-28(46)27(45)26(44)22(18-42)51-33/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 [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]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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