Mol:Paeonol

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Paeonol.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  0  0  0  0  0  0  1 V2000 
   23.3933  -13.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.3933  -15.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.2414  -13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.2414  -15.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.0896  -13.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.0896  -15.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9378  -13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9378  -11.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.5451  -15.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.2413  -17.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.5451  -17.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.6969  -15.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  4 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
S  SKP  9 
ID	Paeonol 
KNApSAcK_ID	C00002704 
NAME	Paeonol 
CAS_RN	552-41-0 
FORMULA	C9H10O3 
EXACTMASS	166.062994186 
AVERAGEMASS	166.1739 
SMILES	COc(c1)cc(O)c(c1)C(C)=O 
AUTODRAW	FALSE 
M  END
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