Marvin  04280812222D          

 13 13  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  5  8  1  0  0  0  0
  3  1  1  0  0  0  0
  8  6  1  0  0  0  0
  1 12  1  0  0  0  0
  6 12  1  0  0  0  0
  1  2  1  1  0  0  0
  3  4  1  6  0  0  0
  5  9  1  1  0  0  0
  6  7  1  6  0  0  0
 12 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  1  0  0  0
M  ISO  1  11  18
M  END
> <ID>
CHEBI:31617

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

> <STAR>
3

> <SYNONYM>
2-deoxy-2-(fluoro-(18)F)-alpha-D-glucopyranose; 2-(fluoro-(18)F)-2-deoxy-alpha-glucopyranose; (18)FDG

> <IUPAC_NAME>
2-deoxy-2-((18)F)fluoro-alpha-D-glucopyranose

> <BRAND_NAME>
Fludeoxyglucose F18

> <FORMULA>
C6H11[18F]O5

> <MASS>
181.150

> <MONOISOTOPIC_MASS>
181.06159

> <CHARGE>
0

> <SMILES>
[H][C@]1([18F])[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1

> <INCHIKEY>
ZCXUVYAZINUVJD-AHXZWLDOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8911359

> <CAS_REGISTRY_NUMBER>
105851-17-0

> <CHEMIDPLUS>
105851-17-0

> <KEGG_DRUG_ACCESSION>
D01843

$$$$