Mol:LBF20207PG27

Revision as of 08:22, 2 November 2010 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

26 27  0  0  0  0  0  0  0  0999 V2000 
  -0.6804    1.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3948    1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1380    1.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1380    0.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9254    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4120    0.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9254    1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3142   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5998    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1147   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1476    1.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8644    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5789    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2934    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0078    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7223    1.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0078    0.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8291    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5435   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2581    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9699   -0.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6820    0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1147   -1.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7223    1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7223    0.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8292   -1.4996    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 
19 20  1  0 
20 21  1  0 
21 22  1  0 
10 23  1  6 
 7 24  1  6 
 5 25  1  6 
24 25  1  0 
23 26  1  0 

S SKP 6 ID LBF20207PG27 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CC[C@@H](OO)C=C[C@@H]([C@H]21)[C@@H](CC=CCCCC(O)=O)[C@@H](OO2)C1)CC AUTODRAW FALSE M END