Marvin  04280815032D          

 13 12  0  0  1  0            999 V2000
    1.4289    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2 13  1  6  0  0  0
  3  2  1  0  0  0  0
  3  7  1  6  0  0  0
  4  3  1  0  0  0  0
  4  8  1  6  0  0  0
  5  4  1  0  0  0  0
  5  9  1  1  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
M  ISO  1  13  18
M  END
> <ID>
CHEBI:49136

> <NAME>
2-deoxy-2-((18)F)fluoro-aldehydo-D-glucose

> <STAR>
3

> <IUPAC_NAME>
2-deoxy-2-((18)F)fluoro-aldehydo-D-glucose

> <FORMULA>
C6H11[18F]O5

> <MASS>
181.150

> <MONOISOTOPIC_MASS>
181.06159

> <CHARGE>
0

> <SMILES>
[H]C(=O)[C@H]([18F])[C@@H](O)[C@H](O)[C@H](O)CO

> <INCHI>
InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1/i7-1

> <INCHIKEY>
AOYNUTHNTBLRMT-MXWOLSILSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8319880

$$$$