Mol:LBF18108HO04
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -4.3844 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 2.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 2.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 -0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7442 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0942 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 4 0 0 0 5 7 1 4 0 0 0 3 8 1 4 0 0 0 5 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 13 14 1 0 0 0 0 15 14 1 4 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 4 23 2 0 0 0 0 S SKP 5 ID LBF18108HO04 FORMULA C18H34O5 EXACTMASS 330.240624198 AVERAGEMASS 330.45956 SMILES CCCCCC(O)C(O)C=CC(O)CCCCCCCC(O)=O M END
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