Mol:LBF20407HO02

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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.1263    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5554    0.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8410    1.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4117    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6972    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8398    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5543    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2687    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0937    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5812   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0651   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2401   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5257   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8112   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7283   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4428   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1572   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8692   -0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5812   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0148    1.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0138   -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  1  0 
 8  9  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  1  0 
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 
 7 23  1  1 
17 24  1  6 

S SKP 6 ID LBF20407HO02 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CCC(C=CCC=CC=CC=CC(CCCC(O)=O)O)O)CC AUTODRAW FALSE M END