Mol:FL5FGLNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -2.2410    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0265    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8502   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7162   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9288   -0.2769    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 
    2.2410    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9555    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0984    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9702    1.9452    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 
 17 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 15 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  1 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  6 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  28  29 
M  SBL   5  1  30 
M  SMT   5  OCH3 
M  SVB   5 30   -1.4067    1.0455 
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   -2.5983      0.77 
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     2.241    1.4543 
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   -2.9555   -0.3996 
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     0.183   -0.6973 
S  SKP  8 
ID	FL5FGLNS0003 
KNApSAcK_ID	C00004783 
NAME	5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone 
CAS_RN	70368-16-0 
FORMULA	C20H20O9 
EXACTMASS	404.11073223799997 
AVERAGEMASS	404.3674 
SMILES	C(O2)(c(c3)c(cc(OC)c3)O)=C(C(c(c21)c(c(c(c(OC)1)OC)OC)O)=O)OC 
M  END