Mol:FL2FE8NS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.8688   -0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8688   -1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1543   -1.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4399   -1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4399   -0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1543    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2746   -1.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9891   -1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9891   -0.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2746    0.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7476    0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4621   -0.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1765    0.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1765    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4621    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7476    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2746   -2.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1543   -2.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5299    0.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4621   -0.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4621    2.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1765   -0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4660   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0538   -1.1106    0.0000 C   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 
  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  6  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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
S  SKP  8 
ID	FL2FE8NS0006 
KNApSAcK_ID	C00014133 
NAME	Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone 
CAS_RN	161748-44-3 
FORMULA	C17H16O7 
EXACTMASS	332.089602866 
AVERAGEMASS	332.30474 
SMILES	COc(c1)c(OC)c(O)c(C(=O)3)c1OC(C3)c(c2)c(O)ccc(O)2 
M  END