Mol:FL5FECGS0060

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
    3.3123   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5979    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5978    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3123    1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0268    1.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0268    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8834   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1689    0.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4544   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4544   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1689   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8834   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2600    0.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9745   -0.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9745   -0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2600   -1.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1689   -2.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6890    0.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5978   -1.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2600   -2.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7413    1.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3123    2.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6356   -1.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3523   -0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2581   -1.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8454   -1.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0471   -1.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2536   -2.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6662   -1.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4646   -1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6215   -0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1014   -0.6405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7413   -1.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2941   -1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2186   -2.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 18 24  1  0  0  0  0 
 25 26  1  1  0  0  0 
 26 27  1  1  0  0  0 
 28 27  1  1  0  0  0 
 28 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 25  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 27 35  1  0  0  0  0 
 28 23  1  0  0  0  0 
S  SKP  8 
ID	FL5FECGS0060 
KNApSAcK_ID	C00013949 
NAME	Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	224623-24-9 
FORMULA	C22H22O13 
EXACTMASS	494.10604078999995 
AVERAGEMASS	494.40228 
SMILES	O(c21)C(c(c4)ccc(c4O)O)=C(C(c(c(O)c(OC(O3)C(O)C(C(C(CO)3)O)O)c(c2)OC)1)=O)O 
M  END