Mol:PBX00056

 
 OpenBabel10130914012D 
 
 20 21  0  0  0  0  0  0  0  0999 V2000 
    3.4465   -6.6846    0.0000 C   0  0  0  0  0 
    3.4465   -8.0151    0.0000 C   0  0  0  0  0 
    2.3083   -6.0434    0.0000 C   0  0  0  0  0 
    2.3083   -8.7043    0.0000 C   0  0  0  0  0 
    1.1542   -6.7166    0.0000 C   0  0  0  0  0 
    1.1542   -8.0471    0.0000 C   0  0  0  0  0 
    2.2923   -4.6968    0.0000 C   0  0  0  0  0 
    3.4465   -4.0236    0.0000 C   0  0  0  0  0 
    3.4465   -2.6931    0.0000 C   0  0  0  0  0 
    4.6006   -2.0198    0.0000 C   0  0  0  0  0 
    4.6006   -0.6893    0.0000 C   0  0  0  0  0 
    5.7388   -2.6610    0.0000 C   0  0  0  0  0 
    5.7388    0.0000    0.0000 C   0  0  0  0  0 
    6.8929   -1.9877    0.0000 C   0  0  0  0  0 
    6.8929   -0.6572    0.0000 C   0  0  0  0  0 
    2.2923  -10.0188    0.0000 O   0  0  0  0  0 
    4.6167   -6.0273    0.0000 O   0  0  0  0  0 
    0.0000   -6.0273    0.0000 O   0  0  0  0  0 
    1.1381   -4.0396    0.0000 O   0  0  0  0  0 
    8.0631   -0.0321    0.0000 O   0  0  0  0  0 
  1  2  1  0  0  0 
  1  3  2  0  0  0 
  1 17  1  0  0  0 
  2  4  2  0  0  0 
  3  5  1  0  0  0 
  3  7  1  0  0  0 
  4  6  1  0  0  0 
  4 16  1  0  0  0 
  5  6  2  0  0  0 
  5 18  1  0  0  0 
  7  8  1  0  0  0 
  7 19  2  0  0  0 
  8  9  1  0  0  0 
  9 10  1  0  0  0 
 10 11  1  0  0  0 
 10 12  2  0  0  0 
 11 13  2  0  0  0 
 12 14  1  0  0  0 
 13 15  1  0  0  0 
 14 15  2  0  0  0 
 15 20  1  0  0  0 
S  SKP  6 
NAME	Phloretin 
ID	PBX00056 
FORMULA	C15H14O5 
EXACTMASS	274.084123558 
AVERAGEMASS	274.26866 
SMILES	Oc(c2)ccc(c2)CCC(=O)c(c(O)1)c(O)cc(O)c1 
M  END