Mol:LBF11000BC11
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 -3.3357 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 1.6015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2600 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 2.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 0.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -2.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 4 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 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 LBF11000BC11 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CCCCCCCCC(C)CC(O)=O M END
</pre>