Mol:LBF08102BC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 1 0 0 0 0 0999 V2000 -2.7996 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 0.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0442 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 -1.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3081 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5216 1.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 4 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 2 11 2 0 0 0 0 11 12 1 0 0 0 0 S SKP 5 ID LBF08102BC01 FORMULA C10H18O2 EXACTMASS 170.13067981999998 AVERAGEMASS 170.24872 SMILES CC(C)=CCCC(C)CC(O)=O M END
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