Mol:LBF14106SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 0 0 0 0 0 0999 V2000 3.0821 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 -0.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 0.6854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 -0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -0.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7751 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 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 1 5 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 LBF14106SC01 FORMULA C14H26O2 EXACTMASS 226.19328007599998 AVERAGEMASS 226.35504 SMILES CCCCCC=CCCCCCCC(O)=O M END