Mol:LBF20407HO04


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.5547    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2693    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9838    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2693    1.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8400    0.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1256    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4136    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4114    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1259    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8404    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9838    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9838   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8404   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1259   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4114   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3030   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0175   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7295   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8404    1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8404   -1.6507    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  1  0 
11 12  2  0 
12 13  1  0 
13 14  2  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 
10 23  1  1 
17 24  1  6 

S SKP 6 ID LBF20407HO04 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CCC(C=CC=CC=CC(CC=CCCCC(O)=O)O)O)CC AUTODRAW FALSE M END