Mol:LBF18107OX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 21 0 0 1 0 0 0 0 0999 V2000 -5.1516 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9779 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9779 0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6767 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3266 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5405 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 7 1 4 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 8 17 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 1 18 1 0 0 0 0 2 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 3 22 2 0 0 0 0 S SKP 5 ID LBF18107OX01 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC(O)C=CCC(=O)CCCCCCCC(O)=O M END