Mol:LBF19000BC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 1 0 0 0 0 0999 V2000 -2.7019 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7631 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4451 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4451 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 -0.7145 0.0000 C 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 1 6 1 0 0 0 0 2 7 1 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 2 11 1 0 0 0 0 4 13 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 S SKP 5 ID LBF19000BC02 FORMULA C11H22O2 EXACTMASS 186.16197994799998 AVERAGEMASS 186.29118 SMILES CCCC(C)CCCC(C)C(O)=O M END