Mol:LBF20207PG69


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

28 28  0  0  0  0  0  0  0  0999 V2000 
  -1.9071    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6217    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3647    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3647   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1520   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6386    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1520    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5411   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8267   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1122   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0793    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3625    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3520    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0664    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7808    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4953    0.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7808   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3978   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3166   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0311   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7429   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4550   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4070    1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1122   -1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4070   -1.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2097    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9242    0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6386    0.5673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 8  9  2  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
15 17  2  0 
10 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 7 23  1  6 
10 24  1  6 
 5 25  1  6 
16 26  1  0 
26 27  1  0 
27 28  1  0 

S SKP 6 ID LBF20207PG69 FORMULA C22H39NO5 EXACTMASS 397.282823363 AVERAGEMASS 397.5488 SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(=O)NCCO)[C@@H](C[C@H](O)1)O)O AUTODRAW FALSE M END