Mol:FL5FCJGA0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -0.1567   -5.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4759   -5.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6956   -4.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2827   -3.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3499   -4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5696   -4.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5024   -3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0895   -2.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5431   -2.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7628   -3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9956   -3.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9559   -2.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7319   -1.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1528   -1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7975   -1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0214   -2.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6006   -2.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5189   -2.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9696   -0.8011    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5820   -1.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.3274   -1.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0774   -1.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.4651   -0.8011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.7196   -1.0141    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2425   -0.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9884   -0.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4651   -0.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3278   -4.3617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6659   -2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9289   -0.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5919   -1.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3064   -1.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7040   -5.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4700   -6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2182   -1.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9360   -0.2255    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 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 18  1  0  0  0  0 
 18  8  1  0  0  0  0 
 22 21  1  1  0  0  0 
  3 28  1  0  0  0  0 
 16 29  1  0  0  0  0 
 14 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
  1 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 15 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34    2.5919   -1.4452 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  38 
M  SMT   2  OCH3 
M  SVB   2 38    1.5329    1.2031 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36   -3.3064    0.5189 
S  SKP  8 
ID	FL5FCJGA0001 
KNApSAcK_ID	C00005774 
NAME	Myricetin 7,4'-dimethyl ether 3-galactoside 
CAS_RN	86828-99-1 
FORMULA	C23H24O13 
EXACTMASS	508.121690854 
AVERAGEMASS	508.42886 
SMILES	O([C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)C(C(=O)2)=C(c(c3)cc(c(OC)c(O)3)O)Oc(c21)cc(cc1O)OC 
M  END