Mol:LBF20503HO08
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -3.5846 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -0.8353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6188 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 0.1808 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 4 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 17 1 6 0 0 0 13 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20503HO08 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(=CCC(C=CC=CCC=CCC=CCCCC(O)=O)O)CC M END