input word = C00032834

Metabolite InformationStructural formula
Name Cimigenol 3-O-alpha-L-arabinopyranoside
Cimicifugoside M
(+)-Cimicifugoside M
Formula C35H56O9
Mw 620.39243339
CAS RN 256925-92-5
C_ID C00032834 ,
InChIKey BTPYUWOBZFGKAI-SNSIIFKQNA-N
InChICode InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35?/m1/s1
SMILES [C@H]1([C@H]2C[C@H]([C@H]3[C@](O1)([C@@H]([C@@]1([C@@]3(CC[C@]34[C@H]1CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)C4)C)C)O)O2)C)C(O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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