Mol:LBF20306HX01

Revision as of 09:42, 28 October 2010 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   1.8904    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6051    1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3195    1.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6051    0.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1759    1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4614    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2506    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7900    1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5044    1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0919    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5044    0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0919   -0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5044   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9211   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2067   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3817   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3328   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0472   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7616   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4761   -1.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1906   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2986    1.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2699   -0.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3195   -1.4508    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  1  0 
11 12  2  0 
12 13  1  0 
13 14  1  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 
10 23  1  0 
13 24  1  1 
14 25  1  6 

S SKP 6 ID LBF20306HX01 FORMULA C20H34O5 EXACTMASS 354.240624198 AVERAGEMASS 354.48096000000004 SMILES OC(CC=CCCCC(O)=O)C=C[C@@H](O)[C@@H](O)CC=CCCCCC AUTODRAW FALSE M END