Mol:FL1DRTNS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
   -3.0930   -0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0930   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3786   -1.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6641   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6641   -0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3786    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9041   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2057   -1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9041   -2.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2057   -0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5103    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2248   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9393    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9393    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2248    1.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5103    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5268    1.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2248   -1.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2248    1.9545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6728    2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0930    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1528    1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9148    0.8086    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  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 10  1  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 
 14 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
S  SKP  8 
ID	FL1DRTNS0011 
KNApSAcK_ID	C00014606 
NAME	2-Hydroxy-4,5,6-trimethoxydihydrochalcone 
CAS_RN	209861-22-3 
FORMULA	C18H20O5 
EXACTMASS	316.13107375 
AVERAGEMASS	316.3484 
SMILES	c(c1CCC(=O)c(c2)cccc2)(O)cc(c(c1OC)OC)OC 
M  END