Mol:LBF20402SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 0 0 0 0 0 0999 V2000 3.5227 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5527 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1798 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5823 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4073 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 -0.6566 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 2 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 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 S SKP 5 ID LBF20402SC01 FORMULA C20H32O2 EXACTMASS 304.240230268 AVERAGEMASS 304.46688 SMILES C(CC=CCCC=CCCC=CCCCCC(O)=O)C=CC M END