Mol:LBF14105SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 0 0 0 0 0 0999 V2000 3.0910 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 -0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4192 -0.1636 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 1 5 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 1 0 0 0 0 15 16 1 0 0 0 0 S SKP 5 ID LBF14105SC01 FORMULA C14H26O2 EXACTMASS 226.19328007599998 AVERAGEMASS 226.35504 SMILES CCCCC=CCCCCCCCC(O)=O M END