View source for Mol:LBF20207PG47

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 25  0  0  0  0  0  0  0  0999 V2000 
   -0.8355    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5500    0.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2928    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2928   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0802   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5668    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0802    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4694   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7550   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0405   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0076    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7092    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4238    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1379    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8523    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5668    0.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8523   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6739   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3884   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1026   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8144   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5265   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0405   -1.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3351    1.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3351   -1.3022    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  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 
 10 23  2  0 
  7 24  1  6 
  5 25  1  6 
S  SKP  6 
ID	LBF20207PG47 
FORMULA	C20H32O5 
EXACTMASS	352.224974134 
AVERAGEMASS	352.46508 
SMILES	C(CCC(=O)C=C[C@H]([C@@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC 
AUTODRAW	FALSE 
M  END