Mol:FL4DACNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.8713   -0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3505   -0.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8296   -0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8296    0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3505    0.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8713    0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3087   -0.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2122   -0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2122    0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3087    0.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3087   -1.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3505   -1.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3781    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6553   -0.9550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7919    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3206    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8493    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8493    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3206    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7919    0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201   -1.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6641   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3781    1.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3206    1.9152    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 
  7 11  2  0  0  0  0 
  2 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  8 14  1  1  0  0  0 
  9 15  1  6  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
 18 24  1  0  0  0  0 
 19 25  1  0  0  0  0 
S  SKP  8 
ID	FL4DACNS0002 
KNApSAcK_ID	C00008743 
NAME	Taxifolin 3-acetate 
CAS_RN	78834-97-6 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cc(O)c(O)c1 
M  END