Mol:LBF16304SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 0 0 0 0 0 0999 V2000 3.5874 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9824 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7476 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9576 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0851 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6681 -0.3870 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 1 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 S SKP 5 ID LBF16304SC01 FORMULA C16H26O2 EXACTMASS 250.19328007599998 AVERAGEMASS 250.37643999999997 SMILES CCCC=CCC=CCC=CCCCCC(O)=O M END