Mol:LBF20406LT13
Copyright: ARM project http://www.metabolome.jp/
34 33 0 0 0 0 0 0 0 0999 V2000 2.5024 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 2.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0733 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0627 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7746 1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4867 1.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1986 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6226 1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6226 0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2142 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 -1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -0.2932 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -0.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6226 0.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 0.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 -1.1154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 2.3485 0.0000 O 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 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 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 8 23 1 6 26 31 2 0 29 32 2 0 25 33 1 1 7 34 1 1
S SKP 6 ID LBF20406LT13 FORMULA C25H40N2O6S EXACTMASS 496.260707712 AVERAGEMASS 496.66098 SMILES C(=CC=CC=C[C@@H](SC[C@@H](C(=O)NCC(O)=O)N)[C@H](CCCC(O)=O)O)CC=CCCCCC AUTODRAW FALSE M END
