Mol:LBF12000BC16
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 1 0 0 0 0 0999 V2000 -4.0897 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8766 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7502 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8766 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2958 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 4 0 0 0 3 5 1 0 0 0 0 5 6 1 4 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 1 10 1 0 0 0 0 2 16 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 15 16 1 0 0 0 0 S SKP 5 ID LBF12000BC16 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCCCCCC(C)CC(C)C(O)=O M END