Mol:LBF12000BC11
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 -0.4250 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7839 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 2.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 0.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 4 0 0 0 1 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 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 12 11 1 4 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 S SKP 5 ID LBF12000BC11 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CCCCC(C)CCCCCCC(O)=O M END
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