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Tocopherol Acetate does not map to Tocopherol

Open grishagin opened this issue 5 years ago • 0 comments

So its not a big deal that this ester doesn't map to its free acid. We do a good job catching some of these esters -> parent free acids by using Active Moiety relationships from GSRS. In this case, it turns out that TOCOPHEROL ACETATE 9E8X80D2L0 is a Sub-concept of substance .ALPHA.-TOCOPHEROL ACETATE 9E8X80D2L0 which has as its active moiety .ALPHA.-TOCOPHEROL H4N855PNZ1, which is itself a mixture of 6 components including esters and free acids. What a mess.

The take home is whether we need to consider SUBSTANCE-> SUB_CONCEPT relationships in stitching as well.

grishagin avatar Oct 24 '19 18:10 grishagin