Mol:LBF11000BC06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 1 0 0 0 0 0999 V2000 -4.2201 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 1.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 0.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 4 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 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 4 13 1 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 S SKP 5 ID LBF11000BC06 FORMULA C12H24O2 EXACTMASS 200.17763001199998 AVERAGEMASS 200.31776 SMILES CCCCCCC(C)CCCC(O)=O M END