Mol:LBF20406HO16


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   2.1276    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8422    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5567    0.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8422    1.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4129    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6984    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0136    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8386    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5530    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2675    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0925    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5800   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0639   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2389   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5244   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8099   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0151   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7295   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4440   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1560   -0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8680   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5800   -0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0639   -1.6404    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  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  2  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 
13 23  1  6 

S SKP 6 ID LBF20406HO16 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CC=CC=C[C@@H](CC=CCC=CCCCC(O)=O)O)CCC AUTODRAW FALSE M END