Mol:LBF20806SF01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 32 0 0 0 0 0 0 0 0999 V2000 -5.0218 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0218 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4343 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1963 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1963 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 0.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 0.9351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4343 0.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3013 1.5185 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 2 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 23 1 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 S SKP 5 ID LBF20806SF01 FORMULA C26H38N2O3S EXACTMASS 458.260313782 AVERAGEMASS 458.6576 SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(Nc(c1)ccc(c1)S(N)(=O)=O)=O M END