Mol:LBF18207OX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 20 0 0 1 0 0 0 0 0999 V2000 -2.1905 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 2.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8846 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4721 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 20 1 0 0 0 0 21 3 1 4 0 0 0 2 5 2 0 0 0 0 1 6 1 0 0 0 0 2 9 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 4 10 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 16 15 1 4 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 S SKP 5 ID LBF18207OX01 FORMULA C18H30O3 EXACTMASS 294.21949482599996 AVERAGEMASS 294.429 SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O M END