Mol:LBF162nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 18 0 0 1 0 0 0 0 0999 V2000 -4.3003 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0171 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0489 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5341 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1172 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 1.0161 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 3 1 4 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 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 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 16 17 1 0 0 0 0 16 18 2 0 0 0 0 S SKP 5 ID LBF162nnXX01 FORMULA C16H28O2 EXACTMASS 252.20893013999998 AVERAGEMASS 252.39231999999998 SMILES OC(=O)CCCCCCCCCCC(C1)C=CC1 M END