Mol:LBF18302HP02


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   4.6882   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4028    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1173   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4028    1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9735    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2590   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5446    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8301   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1181    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4061   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3059    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1309    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8453   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5573    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9813    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6933   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4053    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1173   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8293    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8293    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6933   -0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548   -1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4078   -1.2368    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  1  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
 3 21  1  0 
15 22  1  0 
17 23  1  0 
22 24  1  0 
23 25  1  0 

S SKP 6 ID LBF18302HP02 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC AUTODRAW FALSE M END