Mol:LBF12000BC08
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 -0.4627 -0.7120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4627 0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9986 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 4 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 3 12 1 0 0 0 0 7 8 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 1 13 1 0 0 0 0 4 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 S SKP 5 ID LBF12000BC08 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CCCCCCCC(C)CCCC(O)=O M END
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