Mol:FL2FALNI0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
   -1.3434   -1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8225   -2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3016   -1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3016   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8225   -0.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3434   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193   -2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7402   -1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7402   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193   -0.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2605   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193   -2.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7949   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3293   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3293   -0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7949    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2605   -0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8225   -2.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8627    0.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8637   -0.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8225   -0.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3429    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3429    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8632    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7271    0.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8632    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3836    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3836    2.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8627    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8225    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8632    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7949   -1.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 17 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 28 31  1  0  0  0  0 
 13 32  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNI0013 
KNApSAcK_ID	C00008499 
NAME	Sophoraflavanone E 
CAS_RN	121927-94-4 
FORMULA	C25H28O7 
EXACTMASS	440.18350325 
AVERAGEMASS	440.48562000000004 
SMILES	CC(C)=CCCC(=CCc(c(O)1)c(O2)c(C(=O)CC(c(c3O)c(cc(c3)O)O)2)c(c1)O)C 
M  END