Mol:BMMCPD--k013
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 7 1 4 0 0 0
7 8 1 0 0 0 0
6 11 1 4 0 0 0
4 5 1 0 0 0 0
8 9 1 0 0 0 0
4 12 1 0 0 0 0
6 1 1 0 0 0 0
2 10 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
10 13 1 0 0 0 0
10 14 2 0 0 0 0
3 4 2 0 0 0 0
6 5 1 0 0 0 0
9 15 1 0 0 0 0
9 16 2 0 0 0 0
S SKP 7
ID BMMCPD--k013
NAME 5-(2'-Carboxyethyl)-4,6-dihydroxy-picolinic acid
FORMULA C9H11NO6
EXACTMASS 229.0586
AVERAGEMASS 229.1867
SMILES OC(=O)CCC(C(O)=1)C(O)N=C(C(O)=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05655
M END
</pre>
