Mol:LBF13000BC02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 17 16 0 0 1 0 0 0 0 0999 V2000 -2.7307 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2347 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 4 0 0 0 2 6 1 0 0 0 0 4 12 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 11 12 1 0 0 0 0 4 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 13 17 1 0 0 0 0 S SKP 5 ID LBF13000BC02 FORMULA C15H30O2 EXACTMASS 242.22458020399998 AVERAGEMASS 242.3975 SMILES CC(C)CCCCCCCC(C)CCC(O)=O M END
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