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 [C@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1CC[C@@]23[C@H](C1(C)C)CC[C@@H]1[C@]2(CC[C@]2([C@]1([C@H](C(=O)[C@@H]2[C@@H](C[C@H]([C@H]1C(O1)(C)C)OC(=O)C)C)O)C)C)C3)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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