Mol:LBF29000SC01

Revision as of 08:29, 1 February 2011 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

31 30  0  0  0  0  0  0  0  0999 V2000 
   2.1337    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8483    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5628    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4190    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7045    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0075    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2748    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9867    0.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2748    1.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7194    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4314    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1434    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8554    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5674    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2794    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9914    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9914   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2769   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5624   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8480   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1335   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4190   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7045   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0074   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7194   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4314   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1434   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8554   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5674   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2794   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9914   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
28 29  1  0 
29 30  1  0 
30 31  1  0 

S SKP 6 ID LBF29000SC01 FORMULA C29H58O2 EXACTMASS 438.44368110000005 AVERAGEMASS 438.76962 SMILES C(CCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCC AUTODRAW FALSE M END