Mol:LBF08102SC02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 10 9 0 0 0 0 0 0 0 0999 V2000 1.2471 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5754 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 -0.6153 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 1 5 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 S SKP 5 ID LBF08102SC02 FORMULA C8H14O2 EXACTMASS 142.09937969199999 AVERAGEMASS 142.19556 SMILES CC=CCCCCC(O)=O M END
</pre>