136098662
  CDK     0404242200

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0585    0.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221    2.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4813    1.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -1.8127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2734    0.2993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7896    0.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2757    1.6342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0599    1.3779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4986   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7282    1.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 13  1  0  0  0  0 
 12  2  1  6  0  0  0 
  3 16  1  0  0  0  0 
  4 18  2  0  0  0  0 
 10  5  1  1  0  0  0 
  5 14  1  0  0  0  0 
  5 15  1  0  0  0  0 
  6 14  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7 15  1  0  0  0  0 
  7 19  2  0  0  0  0 
  8 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  9 19  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 16  1  1  0  0  0 
 15 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:230041

> <NAME>
7,8-Dihydro-2'-deoxyguanosine

> <STAR>
2

> <IUPAC_NAME>
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-1H-purin-6-one

> <FORMULA>
C10H15N5O4

> <MASS>
269.261

> <MONOISOTOPIC_MASS>
269.11240

> <CHARGE>
0

> <SMILES>
O1[C@@H](N2CNC3=C2N=C(NC3=O)N)C[C@H](O)[C@H]1CO

> <INCHI>
InChI=1S/C10H15N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h4-6,12,16-17H,1-3H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1

> <INCHIKEY>
DYQXERDJEYZBKH-KVQBGUIXSA-N

$$$$