Mol:FL2FGANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3787    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3787   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8224   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2661   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2661    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8224    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7098   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1535   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1535    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7098    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4026    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9696    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5366    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5366    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9696    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4026    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7098   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8224   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8179   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7244    0.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2004    1.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5443    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1077    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1034    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8179    1.0418    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 
  3 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    2.1034    1.4543 
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   -1.5443    1.0455 
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   -2.7244      0.79 
S  SKP  8 
ID	FL2FGANS0001 
KNApSAcK_ID	C00008256 
NAME	5,6-Dihydroxy-7,8,4'-trimethoxyflavanone 
CAS_RN	75933-08-3 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	c(C(O2)CC(c(c3O)c2c(c(c3O)OC)OC)=O)(c1)ccc(OC)c1 
M  END