Mol:FL2FA8NS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.1816    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1816   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4671   -1.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7526   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7526    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4671    0.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0382   -1.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6763   -0.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6763    0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0382    0.5566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4348    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1493    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8638    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8638    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1493    1.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4348    1.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0382   -1.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4671   -1.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8520    0.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4747    0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4747    0.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1493   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8505   -0.8885    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  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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 12 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
S  SKP  8 
ID	FL2FA8NS0009 
KNApSAcK_ID	C00014125 
NAME	5,3'-Dihydroxy-7,2'-dimethoxyflavanone 
CAS_RN	188440-67-7 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c2)c(OC)c(O)cc2 
M  END