Mol:LBF20406AM43


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

31 31  0  0  0  0  0  0  0  0999 V2000 
  -0.0042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7104    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7104    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7189    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4334    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1454    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9704    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6848   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3993    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.2243    0.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7118   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1957   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3707   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6562   -0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9417   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1167   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4023   -0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6878   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0242   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7362   -1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4482   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1394    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5683    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2828   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9973   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7118   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9973    0.4125    0.0000 C   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 
25 26  1  0 
26 27  2  0 
27 28  1  0 
28 29  2  0 
29 30  1  0 
30 31  2  0 
31 26  1  0 

S SKP 6 ID LBF20406AM43 FORMULA C28H41NO2 EXACTMASS 423.313729561 AVERAGEMASS 423.63068 SMILES C(=CCCCC(NCCOc(c1)cccc1)=O)CC=CCC=CCC=CCCCCC AUTODRAW FALSE M END