Mol:LBF46000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 48 47 0 0 0 0 0 0 0 0999 V2000 5.0009 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4322 0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5709 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 0.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5681 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -0.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -0.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 -0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 -0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 -0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 -0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3976 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 -2.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 -2.1216 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 1 0 0 0 0 13 14 1 0 0 0 0 14 15 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 18 19 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 S SKP 5 ID LBF46000SC01 FORMULA C46H92O2 EXACTMASS 676.709732188 AVERAGEMASS 677.22148 SMILES C(CCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC M END