Mol:FLIAAANF0005

Revision as of 14:00, 3 February 2010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.4499    0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4499   -0.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8936   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3373   -0.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3373    0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8936    0.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2190   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7753   -0.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7753    0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2190    0.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3314   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3314   -1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9262   -1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5210   -1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5210   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9262   -0.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2190   -1.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1158   -1.7748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8936   -1.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0271    1.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6660    1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9272    0.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9870    1.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6278    1.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6667    2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3074    2.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0060   -0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0060   -1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5609   -1.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5609   -2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1158   -1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  1  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP 18 
M  END 
 
 
 
 
 
 
 
 
 
 
 
 
ID	FLIAAANF0005 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	CC(C)=CCc(c(O)1)c(O4)c(CC(C(C)(C)O)4)c(O3)c(C(=O)C(=C3)c(c2)ccc(O)c2)1