Mol:FL4DCENS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2817   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7608   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2399   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2399   -0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7608    0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2817   -0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7190   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1981   -0.7709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.1981   -0.1695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.7190    0.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3222    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7190   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8566   -0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3910    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3910    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8566    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3222    0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2332   -1.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7608   -1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8566    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9244    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6389    0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6389    0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1388    1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  8 18  1  1  0  0  0 
  2 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.6389    0.4493 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.9244     1.056 
S  SKP  8 
ID	FL4DCENS0001 
KNApSAcK_ID	C00008582 
NAME	Taxifolin 7,4'-dimethyl ether; (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone 
CAS_RN	79995-67-8 
FORMULA	C17H16O7 
EXACTMASS	332.089602866 
AVERAGEMASS	332.30474 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(O)c(OC)c2 
M  END