Mol:LBF18104HP02

(Redirected from Mol:LBF21304HP01)


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

25 26  0  0  0  0  0  0  0  0999 V2000 
   2.2315    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9477    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6581    0.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9477   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5154    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8049    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0888    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6273    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3378    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0482    0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7643    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7643   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5492   -0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0305    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5492    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0482   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2232   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5070   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2034   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9195   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3742    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3742    0.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3742   -0.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5070   -0.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1690    0.2836    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  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 11  1  0 
12 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 
13 23  1  0 
22 23  1  0 
18 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18104HP02 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(C2CCCCCCCC(=O)OC)(O1)CC(C2C=CC(CC)OO)O1 AUTODRAW FALSE M END