-OEChem-04131210272D

 30 32  0     1  0  0  0  0  0999 V2000
   -0.8648   -0.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    0.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342   -0.7206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    0.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2777    0.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    1.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908   -0.8591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197   -0.8591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5293    0.3464    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8568    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1424    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -0.3210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2373   -0.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908   -0.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133    1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053    0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197   -0.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053   -1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0354   -0.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1924    1.2396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701    1.6555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645    1.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058   -0.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067   -1.7415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6554   -1.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967    1.6420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2008    1.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478    0.0763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6053   -2.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7487   -0.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  1 12  1  0  0  0  0
 10  2  1  1  0  0  0
  2 26  1  0  0  0  0
  3 13  1  0  0  0  0
  3 28  1  0  0  0  0
  4 17  1  0  0  0  0
  4 30  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  2  0  0  0  0
  8 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  6  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  6  0  0  0
 12 23  1  1  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126522993

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB00071

> <PUBCHEM_SUBSTANCE_COMMENT>
Disorders: Purine nucleoside phosphorylase deficiency
Biofluids: Urine

> <PUBCHEM_SUBSTANCE_SYNONYM>
2'-Deoxyinosine
2deoxy-Inosine
9-(2-Deoxy-b-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
9-(2-deoxy-b-D-erythro-pentofuranosyl)-Hypoxanthine
9-(2-deoxy-beta-D-erythro-pentofuranosyl)-Hypoxanthine
9-(2-deoxy-beta-delta-erythro-pentofuranosyl)-Hypoxanthine
Deoxyinosine
HMDB00071
d-Ino
delta-Ino

> <PUBCHEM_XREF_EXT_ID>
HMDB00071

> <PUBCHEM_PUBMED_ID>
825775
8595732
9463485
9495239
9920426
10380753
10381167

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB00071

> <PUBCHEM_CID_ASSOCIATIONS>
65058  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
9  1  6
10  20  6
12  13  6
12  23  5
10  2  5
9  19  5

$$$$