Mol:FL1CGANS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 27  0  0  0  0  0  0  0  0999 V2000 
   -3.2642    0.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7721   -0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1684   -0.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0569    0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5490    0.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1526    0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4533    0.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3417    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7384    1.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6268    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0181    2.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0944    3.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4019    3.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0106    3.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1231    2.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0693    0.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6766   -0.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6445    1.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4375    1.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6623    1.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9678    0.1454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9526    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3782   -0.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5657   -0.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2894    4.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4858    4.3609    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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  6 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 
 13 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26    2.5101    0.6504 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -3.2246   -0.2297 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.8674    0.9399 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -0.8414    0.6422 
S  SKP  8 
ID	FL1CGANS0001 
KNApSAcK_ID	C00006990 
NAME	2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone 
CAS_RN	58497-38-4 
FORMULA	C19H20O7 
EXACTMASS	360.120902994 
AVERAGEMASS	360.3579 
SMILES	C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)ccc(OC)c1 
M  END