Mol:FL5FDFNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6716   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5376   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2120    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6534    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2998   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4956    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4956    0.8044    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 
  8 18  1  0  0  0  0 
 18 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 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
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    2.0624    1.1317 
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   -2.2998   -1.2954 
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     1.212    1.7079 
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   -2.7769    0.4474 
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    0.0044   -1.0199 
S  SKP  8 
ID	FL5FDFNS0005 
KNApSAcK_ID	C00004655 
NAME	Quercetin pentamethyl ether 
CAS_RN	1247-97-8 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	c(c1OC)(C2=O)c(OC(c(c3)cc(c(c3)OC)OC)=C2OC)cc(c1)OC 
M  END