Mol:LBF11000BC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 0 0 0 0 0 0999 V2000 -2.1746 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 -1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 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 2 8 1 0 0 0 0 7 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 12 14 2 0 0 0 0 S SKP 5 ID LBF11000BC01 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CC(C)CCCCCCCCC(O)=O M END
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