Mol:BMACBZANo012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 17 17 0 0 1 0 0 0 0 0999 V2000 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.2500 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 3.7321 -0.2500 0.0000 C 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 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 5 2 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 8 7 1 0 0 0 0 7 6 2 0 0 0 0 6 5 1 0 0 0 0 5 4 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 4 15 2 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 11 1 1 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 7 ID BMACBZANo012 NAME N-Formyl-L-kynurenine FORMULA C11H12N2O4 EXACTMASS 236.0797 AVERAGEMASS 236.224 SMILES O=CNc(c1)c(ccc1)C(=O)C[C@H](N)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02700 M END