Mol:LBF16306HO01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 19 18 0 0 1 0 0 0 0 0999 V2000 -2.6748 0.4235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0873 -0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1362 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0047 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 1.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 -0.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 0.4263 0.0000 O 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 3 4 2 0 0 0 0 1 5 1 0 0 0 0 6 5 2 0 0 0 0 6 7 1 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 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 1 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 S SKP 5 ID LBF16306HO01 FORMULA C16H26O3 EXACTMASS 266.18819469799996 AVERAGEMASS 266.37584 SMILES CCCCCC=CCC(O)C=CC=CCCC(O)=O M END