Mol:LBF11000BC03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 -2.9857 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 1.9981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1105 2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 2.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 4 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 2 14 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 S SKP 5 ID LBF11000BC03 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CCCCCCCCCC(C)C(O)=O M END
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