Mol:LBF20206SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 0 0 0 0 0 0999 V2000 3.8404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2746 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2821 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6021 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0174 -0.6606 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 2 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 19 20 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 S SKP 5 ID LBF20206SC01 FORMULA C20H36O2 EXACTMASS 308.271530396 AVERAGEMASS 308.49864 SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)CCC M END