Mol:FL2F1CNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -0.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9628    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9628    1.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5189    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2033    1.7336    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  6 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 
 23 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 26 18  1  0  0  0  0 
S  SKP  8 
ID	FL2F1CNI0001 
KNApSAcK_ID	C00008285 
NAME	Ovaliflavanone C 
CAS_RN	75680-31-8 
FORMULA	C21H20O5 
EXACTMASS	352.13107375 
AVERAGEMASS	352.3805 
SMILES	O(C1)c(c2)c(ccc(C(C3)Oc(c(CC=C(C)C)4)c(ccc4O)C(=O)3)2)O1 
M  END