Mol:FL2FE8NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6004    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6004   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0685    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6141    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9576    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4576    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3168   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0313   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3149   -0.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2896   -0.1038    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 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 12 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  2 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   -2.3149   -0.3273 
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    1.3168   -0.0186 
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   -1.9576      0.77 
S  SKP  8 
ID	FL2FE8NS0003 
KNApSAcK_ID	C00008340 
NAME	5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone 
CAS_RN	100079-36-5 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	c(c(C(O2)CC(c(c3O)c2cc(c3OC)OC)=O)1)(OC)cccc1O 
M  END