Mol:LBF09000BC03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 13 12 0 0 0 0 0 0 0 0999 V2000 -3.4578 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 1.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 0.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 2 10 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 3 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 S SKP 5 ID LBF09000BC03 FORMULA C11H22O2 EXACTMASS 186.16197994799998 AVERAGEMASS 186.29118 SMILES CCCCCCC(C)(C)CC(O)=O M END
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