Mol:LBF20406AM02

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

28 27  0  0  0  0  0  0  0  0999 V2000 
   1.0700   -0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7846    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4991   -0.2159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7846    1.0216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3553    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3591   -0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0711    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8961    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6106   -0.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3251    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1501    0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6375   -0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1215   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2965   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5820   -1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8675   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0425   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3280   -1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3864   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0984   -1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8104   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5224   -1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2136    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255   -0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6375    0.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255   -1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2136    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9280    1.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 3 23  1  0 
23 24  1  0 
24 25  1  0 
24 26  2  0 
23 27  1  1 
27 28  1  0 

S SKP 6 ID LBF20406AM02 FORMULA C23H37NO4 EXACTMASS 391.27225867699997 AVERAGEMASS 391.54422 SMILES [C@H](CO)(C(O)=O)NC(CCCC=CCC=CCC=CCC=CCCCCC)=O AUTODRAW FALSE M END