Mol:PR100313

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PR100313.png

 
  ACD/Labs08070914522D 
 
 16 15  0  0  1  0  0  0  0  0  2 V2000 
   19.0279   -7.1211    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0141   -6.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0314   -7.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8170   -7.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.2320   -7.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4210   -5.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.7279   -8.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0107   -4.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.7314   -9.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4176   -4.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.1969   -4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.4348   -9.5901    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
   19.0038   -3.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.4799  -10.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.6922   -8.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.3691  -10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  2  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  1  6  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
M  CHG  1  12   1 
S  SKP  7 
CAS_RN	563-24-6 
NAME	sn-Glycero-3-phosphocholine 
ID	PR100313 
FORMULA	C8H21NO6P 
EXACTMASS	258.11064891899997 
AVERAGEMASS	258.229241 
SMILES	OCC(O)COP(O)(=O)OCC[N+1](C)(C)C 
M  END
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