Mol:LBF22107PG02

Revision as of 13:00, 2 November 2010 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

27 27  0  0  0  0  0  0  0  0999 V2000 
   1.3469    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0616    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6322    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0824    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7968    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5114    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2234    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9355    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7201    0.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2051   -0.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7201   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9355   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2209   -0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5065   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7944   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0824   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6297   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3418   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0538   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7659   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9751    1.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9742   -1.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4906    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2051    0.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4907    1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7943   -1.6493    0.0000 O   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 
 6  7  1  0 
 7  8  1  0 
 9  8  1  6 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13  9  1  0 
13 14  1  1 
14 15  2  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 
10 22  2  0 
12 23  1  6 
 3 24  1  0 
24 25  1  0 
24 26  2  0 
16 27  1  6 

S SKP 6 ID LBF22107PG02 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES C(CCC(O)=O)CCCCC[C@H]([C@@H](C=C[C@H](CCCCC)O)1)C(C[C@@H](O)1)=O AUTODRAW FALSE M END