Mol:LBF16204SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 0 0 0 0 0 0999 V2000 3.7503 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 -0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 0.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2553 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0282 -0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 -0.0784 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 1 0 0 0 0 14 15 2 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 S SKP 5 ID LBF16204SC01 FORMULA C16H28O2 EXACTMASS 252.20893013999998 AVERAGEMASS 252.39231999999998 SMILES CCCC=CCC=CCCCCCCCC(O)=O M END