Mol:LBF15000BC03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 19 18 0 0 1 0 0 0 0 0999 V2000 -3.3928 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 1.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4540 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 1.4276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7541 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6291 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3715 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 1.0717 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 11 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 2 12 1 0 0 0 0 4 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 4 18 1 0 0 0 0 15 19 1 0 0 0 0 18 19 1 0 0 0 0 S SKP 5 ID LBF15000BC03 FORMULA C17H34O2 EXACTMASS 270.255880332 AVERAGEMASS 270.45065999999997 SMILES CCCCCCCC(C)CCCC(C)CCC(O)=O M END
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