Mol:FL1D3CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 23  0  0  0  0  0  0  0  0999 V2000 
    1.7086   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3784   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3784    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7086    1.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0388    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0388   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3908   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1913   -0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8741   -0.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5674   -0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5674    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2750    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9826    0.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9826   -0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2750   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5653    1.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2750   -1.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8741   -1.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9826    1.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6971    0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6971   -0.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6854    0.1168    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 
  7  8  1  0  0  0  0 
  8  9  1  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 
 13 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
  9 18  2  0  0  0  0 
  3 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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   -3.6971   -0.0359 
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    2.9826    1.0078 
S  SKP  8 
ID	FL1D3CNS0001 
KNApSAcK_ID	C00008125 
NAME	2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin 
CAS_RN	168180-11-8 
FORMULA	C17H18O5 
EXACTMASS	302.115423686 
AVERAGEMASS	302.32182 
SMILES	COc(c2)ccc(c2)CCC(=O)c(c1)c(O)c(OC)c(O)c1 
M  END