input word = C00048165

Metabolite InformationStructural formula
Name Swietenitin C
(-)-Swietenitin C
Formula C41H50O17
Mw 814.30480017
CAS RN 1173892-05-1
C_ID C00048165 ,
InChIKey QSXQUOLQAOWCFW-GUYOERBZNA-N
InChICode InChI=1S/C41H50O17/c1-10-26(44)52-31-40-25(16-27(45)48-9)33(5,29(51-21(3)42)23-11-14-49-17-23)12-13-38(40)37-19-50-28(46)15-24(37)34(6)18-39(37,57-36(8,56-38)58-40)41(31,55-22(4)43)30(34)53-32(47)35(7)20(2)54-35/h11,14,17,20,24-25,29-31H,10,12-13,15-16,18-19H2,1-9H3/t20-,24-,25+,29-,30-,31-,33+,34+,35+,36+,37-,38-,39+,40+,41-/m0/s1
SMILES CCC(=O)O[C@@H]1[C@@]2(OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@]3(C)C[C@]24O[C@]2(C)O[C@]15[C@H](CC(=O)OC)[C@](C)([C@@H](OC(C)=O)c1ccoc1)CC[C@]5(O2)[C@@]41COC(=O)C[C@@H]31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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OrganismSwietenia macrophylla
ReferenceLin,J.Nat.Prod.,72,(2009),1305