Mol:LBF10105BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 0 0 0 0 0 0999 V2000 -0.1418 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 -1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4767 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4767 -0.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 0.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5195 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 -0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 18 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 8 6 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 1 15 1 0 0 0 0 12 17 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 1 18 2 0 0 0 0 S SKP 5 ID LBF10105BC01 FORMULA C16H30O2 EXACTMASS 254.22458020399998 AVERAGEMASS 254.4082 SMILES CC(C)CCC=C(CCCC(O)=O)CCC(C)C M END