Mol:LBF20207PG68

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

27 27  0  0  0  0  0  0  0  0999 V2000 
  -1.1926    0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9072    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6502    0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6502   -0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4376   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9242    0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4376    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8266   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1122   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3977   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3648    0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3520    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0665    0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7809    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4952    0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2097    0.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4952   -0.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3167   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0311   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7456   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4573   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1694   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6926    1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3977   -1.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6925   -1.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2098    1.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9242    0.4681    0.0000 C   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 
16 27  1  0 

S SKP 6 ID LBF20207PG68 FORMULA C22H39NO4 EXACTMASS 381.28790874099997 AVERAGEMASS 381.5494 SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(N(C)C)=O)[C@@H](C[C@H](O)1)O)O AUTODRAW FALSE M END