Mol:LBF18305SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 19 0 0 0 0 0 0 0 0999 V2000 3.2752 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4523 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7123 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0973 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4523 -0.6016 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 1 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 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 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 20 19 1 0 0 0 0 S SKP 5 ID LBF18305SC01 FORMULA C18H30O2 EXACTMASS 278.224580204 AVERAGEMASS 278.4296 SMILES CCCCC=CC=CC=CCCCCCCCC(O)=O M END