Mol:LBF18306SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 19 0 0 0 0 0 0 0 0999 V2000 3.1515 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3285 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 0.0034 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 12 13 1 0 0 0 0 13 14 1 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 11 12 2 0 0 0 0 15 14 2 0 0 0 0 S SKP 5 ID LBF18306SC02 FORMULA C18H30O2 EXACTMASS 278.224580204 AVERAGEMASS 278.4296 SMILES CCCCCC=CCC=CCC=CCCCCC(O)=O M END