input word = C00045774

Metabolite InformationStructural formula
Name Cimiracemoside K
(-)-Cimiracemoside K
Formula C37H56O10
Mw 660.38734801
CAS RN 473554-75-5
C_ID C00045774 ,
InChIKey WUUHXBURWLJGRL-ZOKXYIOBNA-N
InChICode InChI=1S/C37H56O10/c1-17(2)28-21-13-18(3)29-34(8)25(44-19(4)38)14-36-16-35(36)12-11-24(45-30-27(41)26(40)20(39)15-43-30)32(5,6)22(35)9-10-23(36)33(34,7)31(42)37(29,46-21)47-28/h18,20-31,39-42H,1,9-16H2,2-8H3/t18-,20-,21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31-,33-,34-,35-,36+,37?/m1/s1
SMILES [C@@H]12C[C@H]([C@H]3[C@]([C@@H]([C@@]4([C@@]3([C@@H](C[C@]35[C@H]4CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)C5)OC(=O)C)C)C)O)(O[C@H]1C(=C)C)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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