Mol:LBF08106SC02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 10 9 0 0 0 0 0 0 0 0999 V2000 1.0588 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5363 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -0.6442 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 1 5 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 S SKP 5 ID LBF08106SC02 FORMULA C8H14O2 EXACTMASS 142.09937969199999 AVERAGEMASS 142.19556 SMILES CCCCCC=CC(O)=O M END
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