Mol:LBF20406LT13

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 33  0  0  0  0  0  0  0  0999 V2000
   11.5263    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9282   -4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 29  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  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
  7 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  1  0  0  0
  1 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  2  0  0  0  0
 24 32  2  0  0  0  0
 27 33  1  0  0  0  0
 27 34  2  0  0  0  0
S  SKP  5
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
M  END

</pre>