Mol:LBF12000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 1 0 0 0 0 0999 V2000 -2.7019 1.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7631 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4451 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4451 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0619 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 4 0 0 0 4 5 1 4 0 0 0 2 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 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 4 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 S SKP 5 ID LBF12000BC03 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCCCC(C)CCCC(C)C(O)=O M END