Mol:LBF26000SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 27 0 0 0 0 0 0 0 0999 V2000 3.5723 0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 0.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8586 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4273 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 0.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 -1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9095 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3475 -1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 S SKP 5 ID LBF26000SC01 FORMULA C26H52O2 EXACTMASS 396.396730908 AVERAGEMASS 396.68987999999996 SMILES C(CCC)CCCCCCCCCCCCCCCCCCCCCC(O)=O M END
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