Mol:LBF15000SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 17 16 0 0 0 0 0 0 0 0999 V2000 4.2852 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6719 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 -0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6672 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0002 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 1 1 0 0 0 0 4 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 S SKP 5 ID LBF15000SC01 FORMULA C15H30O2 EXACTMASS 242.22458020399998 AVERAGEMASS 242.3975 SMILES CCCCCCCCCCCCCCC(O)=O M END
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