Mol:LBF13000BC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 0 0 0 0 0 0999 V2000 -2.7576 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1746 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 -1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 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 2 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 S SKP 5 ID LBF13000BC01 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CC(C)CCCCCCCCCCC(O)=O M END
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