CDK     1030232203

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8347    0.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840   -0.6038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1401    0.2361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4690   -1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1636   -0.6900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6250   -0.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894   -1.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6116   -0.0769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511   -1.4045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4455   -0.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0866   -2.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441   -1.2330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -1.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  6  3  1  1  0  0  0 
  4  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
 10  6  1  0  0  0  0 
  7 11  2  0  0  0  0 
 12  9  1  0  0  0  0 
 10 13  1  6  0  0  0 
 14 10  1  0  0  0  0 
 12 15  1  1  0  0  0 
 14 16  1  6  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
  7  8  1  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:227719

> <NAME>
5'-O-acetyl uridine

> <STAR>
2

> <IUPAC_NAME>
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate

> <FORMULA>
C11H14N2O7

> <MASS>
286.240

> <MONOISOTOPIC_MASS>
286.08010

> <CHARGE>
0

> <SMILES>
O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](COC(=O)C)[C@H]([C@H]2O)O

> <INCHI>
InChI=1S/C11H14N2O7/c1-5(14)19-4-6-8(16)9(17)10(20-6)13-3-2-7(15)12-11(13)18/h2-3,6,8-10,16-17H,4H2,1H3,(H,12,15,18)/t6-,8-,9-,10-/m1/s1

> <INCHIKEY>
KTMVKCZHYODLLY-PEBGCTIMSA-N

$$$$