Mol:LBF10000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 1 0 0 0 0 0999 V2000 -1.9199 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 1.2778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8632 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 1.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9199 0.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 2.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 1.8820 0.0000 C 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 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 1 8 1 0 0 0 0 2 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 3 18 1 0 0 0 0 17 18 1 0 0 0 0 S SKP 5 ID LBF10000BC04 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCCCC(CC)(CCCC)C(O)=O M END