Mol:FL1CE8NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
   -1.9517    0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9517   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3953   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8390   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8390    0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3953    0.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2827   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2736   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8297   -0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3857   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9467   -0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5077   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5077    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9467    0.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3857    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2827   -1.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5077    0.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0271    0.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5127   -0.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2272   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8318   -0.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1173   -1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1173    1.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6808    2.1171    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 
  1 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 11 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
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   -1.1173    1.2174 
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   -1.8318   -0.8008 
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    1.5127   -0.8049 
S  SKP  8 
ID	FL1CE8NS0001 
KNApSAcK_ID	C00006967 
NAME	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone 
CAS_RN	100079-39-8 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c1O)(OC)c(O)cc(c1C(=O)C=Cc(c2)c(OC)ccc2)OC 
M  END