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 CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23CO)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeBeesia calthaefolia Ref.
zoom in