Mol:LBF18304HP03


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   4.6882   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4028    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1173   -0.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4028    1.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9735    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2590   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5446    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8301   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1181    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4061   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3059    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1309    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8453   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5573    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9813    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6933   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4053    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1173   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8293    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8293    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -1.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4053    1.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6908    1.4402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548   -1.4402    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  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
 3 21  1  0 
15 22  1  0 
18 23  1  0 
23 24  1  0 
22 25  1  0 

S SKP 6 ID LBF18304HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO AUTODRAW FALSE M END