Mol:FL3FFLNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0624   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0624   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8528    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9197    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0107    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2281    0.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7916    1.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1383    2.3237    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 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 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 17 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28    0.3617    1.4577 
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   -1.2281    0.7574 
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    1.5693    1.7424 
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   -2.4197     0.482 
S  SKP  8 
ID	FL3FFLNS0002 
KNApSAcK_ID	C00003952 
NAME	5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone 
CAS_RN	113963-50-1 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(c1OC)(OC)cc(c(C(=O)2)c(OC(c(c3OC)ccc(c3OC)O)=C2)1)O 
M  END