Mol:LBF12000BC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 0 0 0 0 0 0999 V2000 -2.4661 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8831 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 -0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 0.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 4 1 1 0 0 0 0 4 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 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 12 14 2 0 0 0 0 2 15 1 0 0 0 0 S SKP 5 ID LBF12000BC02 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CC(C)CCCCCCCCCC(O)=O M END