Mol:LBF14000BC04
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 1 0 0 0 0 0999 V2000 -2.6915 1.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7528 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4554 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0127 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0127 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 4 0 0 0 4 5 1 4 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 4 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 2 14 1 0 0 0 0 4 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 S SKP 5 ID LBF14000BC04 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCC(C)CCCCCC(C)C(O)=O M END
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