Mol:FL1CBANI0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 28  0  0  0  0  0  0  0  0999 V2000 
   -2.8579    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5724   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -2.6812    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 
  6  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 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 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  7 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 25 27  1  0  0  0  0 
S  SKP  8 
ID	FL1CBANI0002 
KNApSAcK_ID	C00014472 
NAME	Xanthohumol D;3'-(2-Hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxy-6'-methoxychalcone 
CAS_RN	274675-25-1 
FORMULA	C21H22O6 
EXACTMASS	370.141638436 
AVERAGEMASS	370.39578 
SMILES	CC(=C)C(O)Cc(c1O)c(O)cc(c1C(=O)C=Cc(c2)ccc(O)c2)OC 
M  END