Mol:LBF20806SF03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 34 0 0 0 0 0 0 0 0999 V2000 -5.7183 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7183 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1308 -0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 -0.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 1.0403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 1.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 0.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1308 1.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 8 1 0 0 0 0 1 8 1 0 0 0 0 9 7 1 0 0 0 0 9 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 13 10 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 12 16 2 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 20 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 S SKP 5 ID LBF20806SF03 FORMULA C28H42N2O3S EXACTMASS 486.29161391 AVERAGEMASS 486.71076000000005 SMILES C(=CCCCC(=O)NCCc(c1)ccc(S(N)(=O)=O)c1)CC=CCC=CCC=CCCCCC M END