10428128
  CDK     0425242200

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.2431   -1.6710    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.3066   -2.6253    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1795   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4993   -2.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273   -1.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4589   -1.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1139   -2.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   -3.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4768   -1.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596    1.0219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596    2.3496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.0982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    3.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159    0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232    0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868   -0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411    1.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  6  2  0  0  0  0 
  1 18  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2  8  1  0  0  0  0 
  2  9  2  0  0  0  0 
  3 16  1  0  0  0  0 
  3 18  1  0  0  0  0 
 10 15  1  0  0  0  0 
 10 17  1  0  0  0  0 
 10 20  1  0  0  0  0 
 11 19  1  0  0  0  0 
 11 20  2  0  0  0  0 
 12 17  2  0  0  0  0 
 12 22  1  0  0  0  0 
 13 21  1  0  0  0  0 
 13 22  2  0  0  0  0 
 14 21  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 21  2  0  0  0  0 
M  END
> <ID>
CHEBI:230667

> <NAME>
adefovir monophosphate

> <STAR>
2

> <IUPAC_NAME>
2-(6-aminopurin-9-yl)ethoxymethyl-phosphonooxyphosphinic acid

> <FORMULA>
C8H13N5O7P2

> <MASS>
353.168

> <MONOISOTOPIC_MASS>
353.02902

> <CHARGE>
0

> <SMILES>
P(OP(O)(O)=O)(O)(=O)COCCN1C2=NC=NC(N)=C2N=C1

> <INCHI>
InChI=1S/C8H13N5O7P2/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-19-5-21(14,15)20-22(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H2,9,10,11)(H2,16,17,18)

> <INCHIKEY>
VQIHLCFUFNQXPS-UHFFFAOYSA-N

$$$$