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gilienv / EssOilDB

Restructuring of Essential Oil Database
Apache License 2.0
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Normalization of compound names with ambiguity in position of unsaturated bond #49

Open Shruthi-M opened 5 years ago

Shruthi-M commented 5 years ago

Examples of compound names with ambiguity in position of unsaturated bonds: 1) p-menthadienol 2) p-menthatriene 3) pentadecenoic acid 4) pentyl cyclohexa-1,3-dien

petermr commented 5 years ago

This is a mess! Look at http://www.molbase.com/en/name-p-menthadienol.html - you will see several p-menthadienol. ERROR: AMBIGUOUS_UNSAT FIX: REFER_PAPER (the authors might have given more info) FLAG: AMBIGUOUS (an extra column)

petermr commented 5 years ago

Sometimes these are accepted short names for common compounds - sometimes they are laziness - sometimes the authors don't know the position