Mol:LBF121nnCA01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 0 0 0 0 0 0999 V2000 -2.4032 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9907 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9907 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 S SKP 5 ID LBF121nnCA01 FORMULA C12H20O4 EXACTMASS 228.13615912799997 AVERAGEMASS 228.2848 SMILES OC(=O)CCCCCCCCC=CC(O)=O M END