Mol:LBF20307HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -3.5289 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2767 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -0.4235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6745 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 -0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 -1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 4 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 7 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 14 20 1 6 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20307HO01 FORMULA C20H34O3 EXACTMASS 322.25079495399996 AVERAGEMASS 322.48216 SMILES C(CCC(C=CC=CCC=CCCCCCCC(O)=O)O)CC M END