Mol:FL2FFANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.0682    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0682   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5119   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9556   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9556    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5119    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3993   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1570   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1570    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.3993    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7131    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2801    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8471    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8471    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2801    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7131    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3993   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4139    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5119   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2338    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7972    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4139    0.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8899    1.6694    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 
  3 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -2.4139      0.79 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -1.2338    1.0455 
S  SKP  8 
ID	FL2FFANS0002 
KNApSAcK_ID	C00008254 
NAME	5,4'-Dihydroxy-7,8-dimethoxyflavanone 
CAS_RN	75933-06-1 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c3)c(OC)c(O1)c(c(O)3)C(=O)CC(c(c2)ccc(O)c2)1 
M  END