input word = C00045778

Metabolite InformationStructural formula
Name Cimiracemoside O
(-)-Cimiracemoside O
Formula C39H58O12
Mw 718.39282732
CAS RN 473554-79-9
C_ID C00045778 ,
InChIKey PGTPUTFNHDMKJT-LDKKESEBNA-N
InChICode InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-21-14-34(6)24-10-9-23-33(4,5)25(48-30-29(43)28(42)22(16-45-30)46-19(2)40)11-12-37(23)17-38(24,37)15-26(47-20(3)41)35(34,7)27(18)21/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21+,22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,34+,35-,36-,37-,38+,39-/m1/s1
SMILES [C@@H]1(O[C@@]2([C@@H]3[C@]1(O3)C)C[C@H]([C@H]1[C@@H](O2)C[C@@]2([C@@]1([C@@H](C[C@]13[C@H]2CC[C@@H]2[C@@]1(CC[C@@H](C2(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)OC(=O)C)C3)OC(=O)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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