Mol:LBF18108HO03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -4.3696 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 2.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4541 -2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7876 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 2.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 4 0 0 0 2 7 1 4 0 0 0 5 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 14 13 1 4 0 0 0 1 15 1 0 0 0 0 2 18 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 14 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 4 22 2 0 0 0 0 S SKP 5 ID LBF18108HO03 FORMULA C18H34O4 EXACTMASS 314.24570957599997 AVERAGEMASS 314.46016 SMILES CCCCCC(O)CC=CC(O)CCCCCCCC(O)=O M END
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