Mol:LBF12000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 1 0 0 0 0 0999 V2000 -3.3646 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4259 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7823 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 -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 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 9 10 2 0 0 0 0 9 11 1 0 0 0 0 4 12 1 0 0 0 0 9 13 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 S SKP 5 ID LBF12000BC04 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCC(C)CCCC(C)CCC(O)=O M END