Mol:BMFYB4DAs015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 1 0 0 0 0 0999 V2000 5.4641 1.2500 0.0000 C 0 0 0 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 4.5981 -0.2500 0.0000 C 0 0 3 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 3.7321 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 2.0000 0.2500 0.0000 C 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 4.5981 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 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 3 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 1 1 0 0 0 0 2 10 1 4 0 0 0 4 12 1 0 0 0 0 4 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 4 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 S SKP 7 ID BMFYB4DAs015 NAME 3-Propyl-malic acid FORMULA C7H12O5 EXACTMASS 176.0684 AVERAGEMASS 176.1671 SMILES CCCC(C(O)=O)C(O)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02123 M END