Mol:BMMCPD--k022
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 0 0 0 0 0 0999 V2000
4.5981 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
3 7 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
1 8 1 0 0 0 0
S SKP 7
ID BMMCPD--k022
NAME N-Methyl-nicotinic acid
FORMULA C7H8NO2
EXACTMASS 138.0555
AVERAGEMASS 138.1439
SMILES C[n+1](c1)cc(cc1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01004
M END
</pre>
