Mol:LBF30000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 31 0 0 0 0 0 0 0 0999 V2000 3.2718 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 0.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 0.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 1.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4104 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3018 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4468 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 -1.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7909 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0732 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8851 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 -1.3826 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 S SKP 5 ID LBF30000SC01 FORMULA C30H60O2 EXACTMASS 452.459331164 AVERAGEMASS 452.79620000000006 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O M END