Mol:LBF18205SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 19 0 0 0 0 0 0 0 0999 V2000 3.4265 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6035 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5885 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7885 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2835 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6035 -0.7116 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 2 4 2 0 0 0 0 1 5 1 0 0 0 0 5 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 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 S SKP 5 ID LBF18205SC01 FORMULA C18H32O2 EXACTMASS 280.240230268 AVERAGEMASS 280.44548000000003 SMILES CCCCC=CCC=CCCCCCCCCC(O)=O M END