Mol:LBF142nnXX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 16 0 0 1 0 0 0 0 0999 V2000 -3.7173 -0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6091 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 -0.1898 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0669 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2832 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 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 14 16 2 0 0 0 0 S SKP 5 ID LBF142nnXX01 FORMULA C14H24O2 EXACTMASS 224.17763001199998 AVERAGEMASS 224.33916 SMILES OC(=O)CCCCCCCCC(C1)C=CC1 M END