Mol:LBF20207PG71


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

26 26  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 
  -1.9073    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6503    0.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6503   -0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4377   -0.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9243    0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4377    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8267   -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 
   1.7810    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4953    0.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2098    0.8807    0.0000 N   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 
   1.7457   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4574   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1695   -0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6927    1.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3977   -1.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6926   -1.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2099    1.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9243    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 
10 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
 7 22  1  6 
10 23  1  6 
 5 24  1  6 
16 25  1  0 
16 26  1  0 

S SKP 6 ID LBF20207PG71 FORMULA C22H41NO3 EXACTMASS 367.30864418299996 AVERAGEMASS 367.56588 SMILES C(CCCC)[C@@H](C=C[C@H]([C@H]1CC=CCCCCN(C)C)[C@@H](C[C@H](O)1)O)O AUTODRAW FALSE M END