Mol:LBF20406LT19

Copyright: ARM project http://www.metabolome.jp/

33 32  0  0  0  0  0  0  0  0999 V2000 
  -0.0092    1.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7212    1.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4332    1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1452    1.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8571    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5692    1.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2811    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2811    0.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6978   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8728   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1583    0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4438   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4438   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7294   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7294   -2.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8520    1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5667    1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2811    1.2033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5667    2.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1373    1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4228    1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7083    1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7083    2.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0062   -0.3782    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7083    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4228   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1373    0.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8518   -0.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1373    0.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4228   -1.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1373   -1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8518   -1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1373   -2.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  2  0 
 3  4  1  0 
 4  5  2  0 
 5  6  1  0 
 6  7  2  0 
 7  8  1  0 
 8  9  1  0 
 9 10  2  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
16 17  1  0 
17 18  1  0 
17 19  2  0 
16 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  1 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
27 29  2  0 
26 30  1  1 
30 31  1  0 
31 32  1  0 
31 33  2  0 
 1 22  1  0 
 1 24  1  6 

S SKP 6 ID LBF20406LT19 FORMULA C25H39NO6S EXACTMASS 481.249808675 AVERAGEMASS 481.6463 SMILES C(C=CC=CCC=CCCCCC)=C[C@H]([C@H](CCCC(O)=O)O)SC[C@@H](C(O)=O)NC(C)=O AUTODRAW FALSE M END