input word = C00045226

Metabolite InformationStructural formula
Name Beesioside A
(+)-Beesioside A
Formula C35H58O9
Mw 622.40808345
CAS RN 401837-66-9
C_ID C00045226 ,
InChIKey KCAKQJIYVPOAJA-WZHAEIGCNA-N
InChICode InChI=1S/C35H58O9/c1-29(2)21-7-8-22-31(5)15-19(37)27(32(6)11-9-24(44-32)30(3,4)41)35(31,18-36)14-13-34(22)17-33(21,34)12-10-23(29)43-28-26(40)25(39)20(38)16-42-28/h19-28,36-41H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26+,27+,28-,31-,32-,33+,34-,35-/m0/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[C@@H]([C@@H]2[C@]1(O[C@H](CC1)C(O)(C)C)C)O)C)CO)C3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeBeesia calthaefolia Ref.
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