Mol:LBF18207HP03


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

25 25  0  0  0  0  0  0  0  0999 V2000 
  -3.3727    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0401   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7075    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4526    1.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6276    1.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4220    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1365    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8509    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4220   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7076   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1188    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2938    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1352    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5641    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9930    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7075    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4220    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8509    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4220    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  1  1  0 
 3  6  1  0 
 6  7  1  0 
 7  8  1  0 
 6  9  1  0 
 9 10  1  0 
 1 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  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
22 25  2  0 

S SKP 6 ID LBF18207HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(O1)(CC(C=CC=CCCCCCCCC(=O)OC)O1)C(CC)OO AUTODRAW FALSE M END