input word = C00045234

Metabolite InformationStructural formula
Name Beesioside I
(+)-Beesioside I
Formula C39H60O12
Mw 720.40847738
CAS RN 98036-86-3
C_ID C00045234 ,
InChIKey UZSZTNKGIQMEOL-XECGLAGYNA-N
InChICode InChI=1S/C39H60O12/c1-20(40)48-28-29-34(7)13-16-39(51-34,33(5,6)45)47-19-38(29)15-14-37-18-36(37)12-11-25(50-31-27(44)26(43)22(42)17-46-31)32(3,4)23(36)9-10-24(37)35(38,8)30(28)49-21(2)41/h22-31,42-45H,9-19H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,34+,35-,36-,37+,38+,39+/m1/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@@]24[C@]1([C@@H]([C@@H]([C@@H]2[C@]1(O[C@@](OC4)(CC1)C(C)(O)C)C)OC(=O)C)OC(=O)C)C)C3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeBeesia calthaefolia Ref.
PlantaeRanunculaceaeBeesia calthifolia Ref.
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