Mol:FLIAALNI0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.3897    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3897    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8892   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3888    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3888    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8892    0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8883   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3879    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3879    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8883    0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8898    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8883   -0.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1123   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1123   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5764   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0405   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0405   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5764    0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5037   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8892   -0.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5764    0.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5037    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9657   -0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4278    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8898   -0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4278    0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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 
  1 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  8 13  1  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 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 13  2  0  0  0  0 
 16 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
S  SKP  8 
ID	FLIAALNI0001 
KNApSAcK_ID	C00002542 
NAME	Licoisoflavone A 
CAS_RN	66056-19-7 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c1O)(c(ccc1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)O)CC=C(C)C 
M  END