Mol:FL1CGANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 27  0  0  0  0  0  0  0  0999 V2000 
   -2.5006    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9296    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9296   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -1.8563    0.0000 C   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 
  4  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  6 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
S  SKP  8 
ID	FL1CGANS0002 
KNApSAcK_ID	C00014433 
NAME	4,3'-Hydroxy-2',4',5',6'-methoxychalcone 
CAS_RN	252235-10-2 
FORMULA	C19H20O7 
EXACTMASS	360.120902994 
AVERAGEMASS	360.3579 
SMILES	C(c(c2OC)c(c(c(c2O)OC)OC)OC)(=O)C=Cc(c1)ccc(O)c1 
M  END