Mol:PR100845

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PR100845.png

 
 
 
 17 17  0  0  1  0  0  0  0  0999 V2000 
   25.4489  -16.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1544  -15.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5558  -15.4081    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0 
   25.8741  -17.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9787  -16.4712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   27.6501  -16.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5433  -13.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.2374  -17.4968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   21.3153  -15.8084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9787  -17.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1396  -16.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1544  -18.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7968  -18.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.9577  -15.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1396  -17.8470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7820  -16.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.6065  -15.8084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  1  3  1  0     0  0 
  1  4  2  0     0  0 
  2  5  1  0     0  0 
  3  6  1  0     0  0 
  3  7  1  0     0  0 
  4  8  1  0     0  0 
  5  9  1  0     0  0 
  5 10  1  1     0  0 
  9 11  1  0     0  0 
 10 12  1  0     0  0 
 10 13  2  0     0  0 
 11 14  1  0     0  0 
 11 15  2  0     0  0 
 14 16  1  0     0  0 
 16 17  1  0     0  0 
  6  8  2  0     0  0 
S  SKP  7 
CAS_RN	584-85-0 
NAME	L-Anserine 
ID	PR100845 
FORMULA	C10H16N4O3 
EXACTMASS	240.122240398 
AVERAGEMASS	240.2592 
SMILES	NCCC(=O)N[C@H](C(O)=O)Cc(c1)n(C)cn1 
M  END
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