Kosata Bedrich Example 8	<< >> BOOK KEYWORDS EXAMPLES HELP

Find all nonsubstituted naphtalenecarboxylic acids.

Query 1 Query 2

Query 1	HOME Hitset 1

The first aproach is to find 1-naphtalenecarboxylic acid and 2-naphtalenecarboxylic acid separately

Q1 41 hits	Note: 1-naphtalenecarboxylic acid
Q2 25 hits	Note: 2-naphtalenecarboxylic acid
Q3 66 hits .Q1 or .Q2	Note: putting the two parts together

Hitset 1	HOME Query 1

972039

1908896

2100898

Comments:

3. Of course hits will contain substances with isotopic substitution

Query 2	HOME Hitset 2

If you are too lazy to draw them both you can use this aproach

Q1 29814 hits no implicit ring closures
Q2 181 hits mf = c11h8o2	Note: Reducing of first search with molecular formula, as a side effect this removes hits with deuterium substitution
Q3 9 hits .Q1 and .Q2	Note: putting the two parts together

Hitset 2	HOME Query 2

972039

1908896

2100898

5425288

Comments:

3. Of course hits will contain substances with isotopic substitution of carbons and oxygen
4. This curious molecule is also found because it has the same mf

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