Mol:LBF20306CV01


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

23 24  0  0  0  0  0  0  0  0999 V2000 
  -0.8637    0.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5757    0.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3163    0.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3163   -0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1010   -0.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5859   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1010    0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5160   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0387    0.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8015   -0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0235   -0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7379   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4499   -0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1619   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8739   -0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5859   -1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7837    1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9587    1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7038    0.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3712    0.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0387    0.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8206    0.2776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3559    1.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  1 
 3  4  1  0 
 4  5  1  0 
 5  6  2  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  6 
 1  9  2  0 
 8 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  1 
20 21  1  0 
21 17  1  0 
19  9  1  0 
21 22  2  0 
 7 23  2  0 

S SKP 6 ID LBF20306CV01 FORMULA C20H28O3 EXACTMASS 316.203844762 AVERAGEMASS 316.43452 SMILES C(CC=CC[C@@H]([C@@H]1CC=C[C@@H](C2)OC(=O)C2)C=CC(=O)1)CCC AUTODRAW FALSE M END