Mol:LBF20000HO04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 23 0 0 1 0 0 0 0 0999 V2000 4.2085 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0057 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 1.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0426 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4595 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2314 -0.3879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8147 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2615 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4223 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 -1.2129 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 3 4 1 0 0 0 0 3 5 2 0 0 0 0 1 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 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 17 18 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 21 22 1 0 0 0 0 13 23 1 4 0 0 0 14 24 1 4 0 0 0 S SKP 5 ID LBF20000HO04 FORMULA C20H40O4 EXACTMASS 344.29265976799996 AVERAGEMASS 344.5292 SMILES C(CCCCC(O)C(O)CCCCCCCCCC(O)=O)CCC M END