Mol:BMFYB6DAk006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 0 0 0 0 0 0 1 V2000 22.9278 -10.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9278 -13.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5345 -15.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5345 -17.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9278 -19.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9278 -21.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1411 -13.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3212 -9.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5345 -9.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3212 -23.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5345 -23.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 -15.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1411 -10.9433 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 2 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 7 12 1 0 0 0 0 7 13 2 0 0 0 0 3 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 5 6 1 0 0 0 0 S SKP 8 AUTODRAW false ID BMFYB6DAk006 NAME cis-Homoaconitic acid FORMULA C7H8O6 EXACTMASS 188.032 AVERAGEMASS 188.1348 SMILES OC(=O)CCC(=CC(O)=O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04002 M END
