Mol:BMFYB5DAk013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 1 0 0 0 0 0999 V2000 2.8660 -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 4.5981 -0.2500 0.0000 C 0 0 3 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 0 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 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 O 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 3 2 1 4 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 6 10 1 0 0 0 0 6 9 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 4 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 1 8 1 0 0 0 0 1 7 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 7 ID BMFYB5DAk013 NAME Isocitric acid FORMULA C6H8O7 EXACTMASS 192.027 AVERAGEMASS 192.1235 SMILES OC(=O)CC(C(O)=O)C(O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00311 M END