Mol:LBF14000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 17 16 0 0 1 0 0 0 0 0999 V2000 -3.0498 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6327 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2157 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3007 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7816 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 1.0319 0.0000 O 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 1 13 1 4 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 S SKP 5 ID LBF14000BC01 FORMULA C15H30O2 EXACTMASS 242.22458020399998 AVERAGEMASS 242.3975 SMILES CCC(C)CCCCCCCCCCC(O)=O M END