A SMILES exact search for CC(=O)NC@@HC(O)=O in 2.1 finds http://ops.rsc.org/OPS3091438. In 1.5 it returns a 404. With searchOptions.MatchType=1 (all tautomers), three URIs are found. SMILES to URL on 1.5 finds http://ops.rsc.org/OPS1770340 (one of the reported tautomers from the exact search).
Investigating the molecules from the corresponding Compound Information calls shows the following data:
http://ops.rsc.org/OPS3091438 in 2.1:
Both molecules are mapped to the same CW identifier, and share the same InChI. I've highlighted the differences in the SMILES with **, and if I understand it correctly it should still be the same molecule, just two different SMILES depictions.
So the question is, why did this molecule receive a new OPS ID?
A SMILES exact search for CC(=O)NC@@HC(O)=O in 2.1 finds http://ops.rsc.org/OPS3091438. In 1.5 it returns a 404. With searchOptions.MatchType=1 (all tautomers), three URIs are found. SMILES to URL on 1.5 finds http://ops.rsc.org/OPS1770340 (one of the reported tautomers from the exact search). Investigating the molecules from the corresponding Compound Information calls shows the following data: http://ops.rsc.org/OPS3091438 in 2.1:
http://ops.rsc.org/OPS3091438 in 1.5: 404 error http://ops.rsc.org/OPS1770340 in 2.1: 404 error http://ops.rsc.org/OPS1770340 in 1.5:
Both molecules are mapped to the same CW identifier, and share the same InChI. I've highlighted the differences in the SMILES with **, and if I understand it correctly it should still be the same molecule, just two different SMILES depictions.
So the question is, why did this molecule receive a new OPS ID?