Mol:FL5FGLNS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -1.1584   -0.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7983   -0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0698   -1.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7014   -2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0614   -2.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7899   -1.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9729   -2.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6044   -3.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9644   -3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6930   -2.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4718   -2.7149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5962   -3.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8728   -4.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4974   -4.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1548   -4.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4316   -4.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0560   -3.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8871   -0.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7095   -1.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5303   -5.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9200   -5.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3427   -6.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0270   -4.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4497   -5.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6413   -3.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4605   -2.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6449   -0.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1180   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1949   -1.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7395   -2.0343    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 17 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  6 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  29  30 
M  SBL   5  1  31 
M  SMT   5  OCH3 
M  SVB   5 31   -1.2281    0.8998 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29   -2.7769   -0.5453 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    0.3617    1.6001 
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    0.3617    -0.843 
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    2.0624    0.1204 
S  SKP  8 
ID	FL5FGLNS0009 
KNApSAcK_ID	C00004853 
NAME	5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone 
CAS_RN	107644-09-7 
FORMULA	C20H20O10 
EXACTMASS	420.10564686 
AVERAGEMASS	420.3668 
SMILES	COc(c1)c(C(O3)=C(C(c(c32)c(c(c(O)c2OC)OC)O)=O)OC)cc(c(O)1)OC 
M  END