Mol:FL1C99NS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 18 19  0  0  0  0  0  0  0  0999 V2000 
   -2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434    1.6500    0.0000 O   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  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  2  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 
 15 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
S  SKP  8 
ID	FL1C99NS0002 
KNApSAcK_ID	C00014418 
NAME	3,3'-Dihydroxychalcone 
CAS_RN	142784-23-4 
FORMULA	C15H12O3 
EXACTMASS	240.07864425 
AVERAGEMASS	240.25398 
SMILES	Oc(c2)cc(cc2)C=CC(=O)c(c1)cc(O)cc1 
M  END