Mol:FL1D1CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 22  0  0  0  0  0  0  0  0999 V2000 
   -2.3671    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3671   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8131   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2591   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2591    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8131    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7054   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1529   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3985   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9486   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4870   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0254   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0254    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4870    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9486    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7054   -0.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9208    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5636    0.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8131   -0.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8915   -0.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7575   -1.0014    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 
  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 
  7 16  2  0  0  0  0 
  1 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.2064   -0.2078 
S  SKP  8 
ID	FL1D1CNS0001 
KNApSAcK_ID	C00007934 
NAME	4,2',4'-Trihydroxy-3-methoxydihydrochalcone 
CAS_RN	72463-72-0 
FORMULA	C16H16O5 
EXACTMASS	288.099773622 
AVERAGEMASS	288.29524 
SMILES	COc(c1)c(O)ccc(CCC(=O)c(c2)c(O)cc(O)c2)1 
M  END