input word = C00045235

Metabolite InformationStructural formula
Name Beesioside J
(+)-Beesioside J
Formula C39H62O12
Mw 722.42412745
CAS RN 405278-18-4
C_ID C00045235 ,
InChIKey AOEKSLVHJZEURZ-NQEIYUCFNA-N
InChICode InChI=1S/C39H62O12/c1-20(41)48-29-30(35(7)13-11-26(51-35)34(5,6)46)39(19-40)16-15-38-18-37(38)14-12-25(50-32-28(45)27(44)22(43)17-47-32)33(3,4)23(37)9-10-24(38)36(39,8)31(29)49-21(2)42/h22-32,40,43-46H,9-19H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32+,35+,36-,37-,38+,39+/m1/s1
SMILES CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]2(CO)[C@H]1[C@]1(C)CC[C@H](C(C)(C)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeBeesia calthifolia Ref.
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OrganismBeesia calthifolia
ReferenceJu,J.Nat.Prod.,65,(2002),147