Mol:LBF11000BC07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 -4.2058 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 0.2181 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1096 1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 -0.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1825 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3604 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7655 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 4 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 2 10 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 2 11 1 0 0 0 0 4 14 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 S SKP 5 ID LBF11000BC07 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CCCCCC(C)CCCCC(O)=O M END