Mol:PR100396

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Revision as of 16:44, 14 January 2011 by 127.0.0.1 (Talk)

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PR100396.png

 
 
 
 14 13  0  0  1  0  0  0  0  0999 V2000 
   19.5379  -16.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.3261  -15.8739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   20.7497  -15.8739    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0 
   17.1142  -16.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.3261  -14.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.0315  -16.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.4988  -15.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.6867  -17.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8967  -15.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.5379  -13.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.6848  -16.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.8967  -14.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.7497  -14.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.5379  -12.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  1  3  1  0     0  0 
  2  4  1  0     0  0 
  2  5  1  1     0  0 
  3  6  1  0     0  0 
  3  7  1  0     0  0 
  3  8  1  0     0  0 
  4  9  1  0     0  0 
  5 10  1  0     0  0 
  9 11  1  0     0  0 
  9 12  2  0     0  0 
 10 13  1  0     0  0 
 10 14  2  0     0  0 
M  CHG  1   3   1 
S  SKP  7 
CAS_RN	14992-62-2 
NAME	O-Acetyl-L-carnitine 
ID	PR100396 
FORMULA	C9H18NO4 
EXACTMASS	204.123583069 
AVERAGEMASS	204.24356 
SMILES	CC(=O)O[C@H](CC(O)=O)C[N+1](C)(C)C 
M  END
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