Mol:LBF12000SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 0 0 0 0 0 0999 V2000 3.2856 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 -0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2856 0.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 -0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6758 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 -0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 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 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 LBF12000SC01 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CCCCCCCCCCCC(O)=O M END
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