View source for Mol:LBF232nnPG03

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 29  0  0  0  0  0  0  0  0999 V2000 
   -0.8326    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5446    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2852    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2852    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0699    0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5548    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0699    1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5422    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8302    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1182    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0076    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7068    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4188    1.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1308    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8428    1.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5548    1.7639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8428    0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5938    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3058    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2984   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0146   -1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0146   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2984   -2.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5821   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5821   -1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3239   -0.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3239    2.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1182   -0.7368    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 
 20 19  1  0 
 20 21  2  0 
 21 22  1  0 
 22 23  2  0 
 23 24  1  0 
 24 25  2  0 
 25 20  1  0 
  5 26  1  6 
  7 27  1  6 
 10 28  1  6 
S  SKP  6 
ID	LBF232nnPG03 
FORMULA	C23H33NO4 
EXACTMASS	387.24095854899997 
AVERAGEMASS	387.51246 
SMILES	C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(N)=O)[C@@H](C[C@H](O)1)O)O 
AUTODRAW	FALSE 
M  END