Mol:LBF20207PG75


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

28 28  0  0  0  0  0  0  0  0999 V2000 
  -1.5499    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2645    0.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0075    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0075   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7949   -0.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2815    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7949    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1839   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4695   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7550   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7221    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0053    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7093    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4237    0.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1380    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8525    0.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1380   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0406   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6739   -0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3884   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1001   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8123   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0499    1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7550   -1.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0497   -1.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5670    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2815    0.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5669   -0.2576    0.0000 C   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 
 7 23  1  6 
10 24  1  6 
 5 25  1  6 
16 26  1  0 
26 27  1  0 
26 28  1  0 

S SKP 6 ID LBF20207PG75 FORMULA C23H40O5 EXACTMASS 396.28757439 AVERAGEMASS 396.56070000000005 SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(OC(C)C)=O)[C@@H](C[C@H](O)1)O)O AUTODRAW FALSE M END