Mol:BMMCPD--k017
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 10 10 0 0 0 0 0 0 0 0999 V2000 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 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 8 1 0 0 0 0 7 9 2 0 0 0 0 6 10 1 0 0 0 0 S SKP 7 ID BMMCPD--k017 NAME 6-Hydroxy-nicotinic acid FORMULA C6H5NO3 EXACTMASS 139.0269 AVERAGEMASS 139.1088 SMILES Oc(c1)ncc(c1)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01020 M END
</pre>