Mol:BMFYB6DAk007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 4.5981 2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2320 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 1 9 1 0 0 0 0 1 8 2 0 0 0 0 2 1 1 0 0 0 0 3 10 1 4 0 0 0 7 13 1 0 0 0 0 7 14 2 0 0 0 0 3 7 1 0 0 0 0 6 12 1 0 0 0 0 6 11 2 0 0 0 0 5 6 1 0 0 0 0 S SKP 7 ID BMFYB6DAk007 NAME Homocitric acid FORMULA C7H10O7 EXACTMASS 206.0426 AVERAGEMASS 206.1501 SMILES OC(=O)CCC(O)(CC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01251 M END