Mol:LBF20806SF02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 32 0 0 0 0 0 0 0 0999 V2000 -5.2400 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6525 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6925 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 0.3004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 1.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8275 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6525 0.2918 0.0000 Br 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 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 S SKP 5 ID LBF20806SF02 FORMULA C26H36BrNO3S EXACTMASS 521.1599273129999 AVERAGEMASS 522.5389799999999 SMILES C(CCC)CC=CCC=CCC=CCC=CCCCC(NS(=O)(=O)c(c1)ccc(c1)Br)=O M END