The Structure Revision of Aglalactone


Wrong Proposal
Corrected Structure
Journal
J.Nat.Prod.,61,1482(1998)
Mh.Chem.,131,1161(2000)
Wrong Structure in
Knowledge Base
Correct Structure in
Knowledge Base
Structure
Assignment
Difference
Experimental/Predicted
Automatic Structure Revision
  • Exclusively based on the 13C-NMR peaklist
  • No other data are used
  • Starting point is the proposed structure and the 1D-peaklist as given in the literature
Reasonable
Alternative #1
Reasonable
Alternative #2
Reasonable
Alternative #3