Mol:LBF20408AM03

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 29  0  0  0  0  0  0  0  0999 V2000 
   -4.9592    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9592   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1342    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1342   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4206   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7070   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8820   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3717   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1682   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4546   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3704   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4206   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7070    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9932   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2796    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5656   -0.1121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2789    1.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3871    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1053   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8160    0.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9022   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0848   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7993   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3704   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9098   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5138   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2282   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9427   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6572   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3717   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  3  2  0  0  0  0 
  2  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  2  8  1  0  0  0  0 
  1  8  1  0  0  0  0 
  9  7  1  0  0  0  0 
  9 10  1  0  0  0  0 
 11 10  2  0  0  0  0 
  3 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 11 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
S  SKP  5 
ID	LBF20408AM03 
FORMULA	C27H47NO2 
EXACTMASS	417.360679753 
AVERAGEMASS	417.66762 
SMILES	C(C(NCC(C)O)=O)CCC=CCC=CCC=CCC=CC(C)(C)CCCCCC 
M  END