Mol:LBF12000BC12
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 -1.3285 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8385 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4259 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 4 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 2 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 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 LBF12000BC12 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CCCC(C)CCCCCCCC(O)=O M END
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