Mol:FL5FGANS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -2.2410    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2410   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0983    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9703    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2410    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9555    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9555   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9474   -0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8502   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7163   -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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  2 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   6 SUP 
M  SLB  1   6   6 
M  SAL   6  2  28  29 
M  SBL   6  1  30 
M  SMT   6  OCH3 
M  SVB   6 30     0.183   -0.7319 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  26  27 
M  SBL   5  1  28 
M  SMT   5  OCH3 
M  SVB   5 28   -2.9555   -0.4342 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26   -2.1212   -1.0073 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24     2.241    1.4197 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -1.4067     1.011 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -2.5983    0.7355 
S  SKP  8 
ID	FL5FGANS0009 
KNApSAcK_ID	C00004674 
NAME	3,5,6,7,8,4'-Hexamethoxyflavone;3,5,6,7,8-Pentamethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	34170-18-8 
FORMULA	C21H22O8 
EXACTMASS	402.13146768 
AVERAGEMASS	402.39458 
SMILES	O(C)c(c21)c(c(c(OC)c1C(C(=C(c(c3)ccc(OC)c3)O2)OC)=O)OC)OC 
M  END