Mol:LBF16401SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 0 0 0 0 0 0999 V2000 3.6011 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 -0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 -0.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0289 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5214 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6544 -0.4558 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 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 S SKP 5 ID LBF16401SC02 FORMULA C16H24O2 EXACTMASS 248.17763001199998 AVERAGEMASS 248.36056 SMILES C=CCC=CCC=CCC=CCCCCC(O)=O M END