Mol:LBF20306EO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 23 0 0 1 0 0 0 0 0999 V2000 -3.5289 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0392 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0392 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4517 1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 -0.1107 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 1 0 0 0 0 4 8 1 0 0 0 0 9 8 1 4 0 0 0 9 10 1 0 0 0 0 7 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 10 17 1 4 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20306EO01 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CC=CCC=CCC=CCC(O1)C1CCCC(O)=O)CCC M END