input word = C00045772

Metabolite InformationStructural formula
Name Cimiracemoside I
(-)-Cimiracemoside I
Formula C35H52O8
Mw 600.36621864
CAS RN 473554-73-3
C_ID C00045772 ,
InChIKey FZLZHFMMPIVMNA-QXDLKMHNNA-N
InChICode InChI=1S/C35H52O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h8,18-21,23-28,36-38H,7,9-17H2,1-6H3/t18-,19+,20+,21+,23+,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35+/m1/s1
SMILES C1O[C@@]2([C@@H]3[C@@]1(C)O3)C[C@H]([C@H]1[C@@H](O2)C[C@@]2([C@@]1(CC[C@]13C2=CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)C3)C)C)C
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