Mol:LBF15111BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 0 0 0 0 0 0999 V2000 0.1968 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -1.7861 0.0000 O 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 4 1 2 0 0 0 0 5 6 1 0 0 0 0 7 5 1 0 0 0 0 4 8 1 0 0 0 0 5 15 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 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 3 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 S SKP 5 ID LBF15111BC01 FORMULA C16H30O2 EXACTMASS 254.22458020399998 AVERAGEMASS 254.4082 SMILES CC(C)CCCCCCCCC=CCCC(O)=O M END