Mol:LBF20503HP07

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

25 24  0  0  0  0  0  0  0  0999 V2000 
   1.7820    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2111    0.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966    1.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0673    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3529    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3591    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1841    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8986    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6131    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4381    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9255    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4095   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5845   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8700   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1555   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3305   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3839   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0984   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9234   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6379   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3499   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4095   -1.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6950   -1.8466    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  2  0 
20 21  1  0 
21 22  1  0 
13 23  1  0 
 3 24  1  0 
23 25  1  0 

S SKP 6 ID LBF20503HP07 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(OC)=O)=CCC AUTODRAW FALSE M END