Mol:BMMCIZ--S527

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BMMCIZ--S527.png

 
 
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 22 23  0  0  1  0  0  0  0  0999 V2000 
    5.4190   -0.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7281   -1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9190   -1.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1100   -1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4190   -0.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590   -1.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    6.0068    0.5888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    5.6978    1.5398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.5068    2.1276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    7.3158    1.5398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.2669    1.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942   -3.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7468    1.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5068    3.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0068    0.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0100    1.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9611    1.4887    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
   10.2701    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.9122    1.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6521    2.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  5  1  0  0  0  0 
  4  3  1  0  0  0  0 
  9  8  1  0  0  0  0 
  8 17  1  1  0  0  0 
 11 17  1  1  0  0  0 
 11 10  1  0  0  0  0 
 10  9  1  0  0  0  0 
 11 12  1  0  0  0  0 
  8  1  1  0  0  0  0 
 10 16  1  6  0  0  0 
  9 15  1  6  0  0  0 
 12 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  4  2  0  0  0  0 
  6  7  1  0  0  0  0 
  3  2  2  0  0  0  0 
  2  1  1  0  0  0  0 
  7 14  1  0  0  0  0 
  7 13  2  0  0  0  0 
S  SKP  7 
NAME	2- [1- [(2R,3R,4S,5R) -3,4-Dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] imidazol-4-yl] acetic acid 
CAS_RN	2888-19-9 
ID	BMMCIZ--S527 
FORMULA	C10H15N2O9P 
EXACTMASS	338.051516598 
AVERAGEMASS	338.207941 
SMILES	OC(=O)Cc(n2)cn(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 
SMILES	OC(=O)Cc(n2)cn(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 
M  END
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