Mol:BMMCPD--k022
From Metabolomics.JP
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