input word = C00045775

Metabolite InformationStructural formula
Name Cimiracemoside L
(-)-Cimiracemoside L
Formula C39H60O11
Mw 704.41356276
CAS RN 473554-76-6
C_ID C00045775 ,
InChIKey MRJOSYQMJVDQDS-HILYTSHJNA-N
InChICode InChI=1S/C39H60O11/c1-19(16-22(47-20(2)40)32-35(6,7)50-32)27-29(43)31(45)37(9)25-11-10-24-34(4,5)26(12-13-38(24)18-39(25,38)15-14-36(27,37)8)49-33-30(44)28(42)23(17-46-33)48-21(3)41/h19,22-28,30-33,42,44-45H,10-18H2,1-9H3/t19-,22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33+,36-,37-,38-,39+/m1/s1
SMILES CC(=O)O[C@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](OC(C)=O)[C@@H]6OC6(C)C)C(=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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OrganismCimicifuga racemosa
ReferenceChen,J.Nat.Prod.,65,(2002),1391