Mol:LBF20502SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 0 0 0 0 0 0999 V2000 3.5915 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1635 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1635 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8335 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7685 0.0584 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 2 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 2 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 15 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 LBF20502SC01 FORMULA C20H30O2 EXACTMASS 302.224580204 AVERAGEMASS 302.451 SMILES C(C=CCC=CCCC=CCCC=CCCC(O)=O)C=CC M END