Mol:FL2FF8NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.7790    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4355    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9867    1.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5916    1.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6362    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1382   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8527   -0.4311    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 
 16 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 
 12 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    1.1382   -0.0186 
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   -2.1362      0.77 
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   -0.9867    1.0212 
S  SKP  8 
ID	FL2FF8NS0003 
KNApSAcK_ID	C00008341 
NAME	5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 
CAS_RN	100079-35-4 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)OC)=O)1)(OC)cccc1O 
M  END