Mol:FL2FEANS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.4150   -1.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0187   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5108   -1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3992   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7955   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3034   -1.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8913   -2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7797   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1761   -3.2782    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.6840   -2.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0646   -3.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5661   -4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4524   -4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8372   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3356   -4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4494   -4.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4022   -2.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1141   -1.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7235   -5.8446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3555   -6.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5822   -0.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2966   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6966   -1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2926   -0.9343    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 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.5867      0.79 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.9555   -0.3996 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21     2.241    1.4543 
S  SKP  8 
ID	FL2FEANS0005 
KNApSAcK_ID	C00008253 
NAME	5-Hydroxy-6,7,4'-trimethoxyflavanone 
CAS_RN	75933-05-0 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	O(C(c(c3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC 
M  END