Mol:LBF20406AM45
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000 0.0767 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5058 -0.0097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 1.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0644 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6039 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6308 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0358 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 -1.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -0.0097 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -0.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1558 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6308 -0.0097 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 3 23 1 0 23 24 2 0 23 25 2 0 23 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 29 32 1 0
S SKP 6 ID LBF20406AM45 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 AUTODRAW FALSE M END
