Mol:FL5FELNS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -2.3202    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1057    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4610   -0.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3270   -0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6775    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1775    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2003   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4859   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7710   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6371   -1.5255    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 
  2 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  8 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    0.1038   -0.7319 
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   -2.2003   -1.0073 
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   -2.6775    0.7355 
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    1.8046    0.2316 
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    2.1618    1.4197 
S  SKP  8 
ID	FL5FELNS0013 
KNApSAcK_ID	C00004816 
NAME	6,2'-Dihydroxy-3,5,7,4',5'-pentamethoxyflavone 
CAS_RN	72947-65-0 
FORMULA	C20H20O9 
EXACTMASS	404.11073223799997 
AVERAGEMASS	404.3674 
SMILES	C(O2)(=C(C(c(c3OC)c2cc(c(O)3)OC)=O)OC)c(c1)c(cc(OC)c(OC)1)O 
M  END