Mol:LBF20307PG41

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

24 24  0  0  0  0  0  0  0  0999 V2000 
   2.0612    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7759    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4903    0.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7759    1.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3466    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0823    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7968    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5088    0.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2208    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0054    0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4903   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0054   -0.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2208   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5063   -0.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7919   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3441   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0561   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7681   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4801   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2595    1.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -1.6478    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 
10  9  1  6 
10 11  1  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 10  1  0 
14 15  1  1 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
11 23  2  0 
17 24  1  6 

S SKP 6 ID LBF20307PG41 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O)1)CC AUTODRAW FALSE M END