Mol:LBF18302HP01


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   4.7471   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4618   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1762   -0.8221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4618    0.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0325   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3180   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6036   -0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8891   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1771   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4651   -0.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2469   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0719   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7864   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3233   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0378   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7523   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4643   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1763   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8883   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8883   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7523    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0378    0.8250    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  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
 3 21  1  0 
17 22  1  0 
22 23  1  0 

S SKP 6 ID LBF18302HP01 FORMULA C19H32O4 EXACTMASS 324.23005951199997 AVERAGEMASS 324.45498 SMILES CC=CC(OO)CC=CCC=CCCCCCCCC(=O)OC AUTODRAW FALSE M END