funny structure updated with UpdateHandler

Dear Chemaxon,





Here is my problem;)





I set a SMILES string to UpdateHandler, and update it to database, then I get a updated SMILES string with a funny suffix. Here is an example:

Code:

smilesString = "OC1C=CC(C([O-])=O)=C(C1O)C([O-])=O"; uh.setStructure(smilesString);

After execute the uh, I open the database and get


OC1C=CC(C([O-])=O)=C(C1O)C([O-])=O |c:2,7|


in the cd_smiles field in the compound table. The unwanted suffix part is : |c:2,7|


(unfortunately, I don't know where does it come from.)





It happens to some SMILES strings. I can provide more examples if needed. I searched chemaxon API documents, but I don't have any clues to figure it out. Appreciate that if you have any suggestions.





Best regards,


Jeff Gao

No worries, cd_smiles contains the molecules in ChemAxon Extended Smiles (cxsmiles) format. The first part is always compatible with the original Daylight smiles definition, and the extended part is for information that cannot be formulated in smiles.





See more details here:


http://www.chemaxon.com/marvin/help/formats/cxsmiles-doc.html





Your original (inserted) molecule source is always available in the cd_structure column.

Szabolcs wrote:

No worries, cd_smiles contains the molecules in ChemAxon Extended Smiles (cxsmiles) format. The first part is always compatible with the original Daylight smiles definition, and the extended part is for information that cannot be formulated in smiles. See more details here: http://www.chemaxon.com/marvin/help/formats/cxsmiles-doc.html Your original (inserted) molecule source is always available in the cd_structure column.

Thanks for your answer, Szabolcs!





Jeff