Marvin  02260811512D          

 19 21  0  0  1  0            999 V2000
   -0.2169    0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5678    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7018    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2169   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2352    0.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352   -0.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718   -1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0802   -2.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    1.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854    1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718    2.7869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    2.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    3.7695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854    2.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    1.2945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  1  0  0  0
  2  1  1  0  0  0  0
  2  6  1  6  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  7  1  6  0  0  0
  3  5  1  0  0  0  0
  5  4  1  0  0  0  0
  5  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 11  1  0  0  0  0
 19 12  2  0  0  0  0
 12 13  1  0  0  0  0
 15 13  1  0  0  0  0
 13 16  2  0  0  0  0
 18 14  2  0  0  0  0
 14 19  1  0  0  0  0
 18 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <ID>
CHEBI:17596

> <NAME>
inosine

> <DEFINITION>
A purine nucleoside in which hypoxanthine is attached to ribofuranose via a β-N9-glycosidic bond.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44407; CHEBI:5927; CHEBI:14456; CHEBI:24841

> <SYNONYM>
inosine; INOSINE; Inosine; Inosin; i; hypoxanthosine; hypoxanthine D-riboside; 9-beta-D-ribofuranosylhypoxanthine; 9-beta-D-ribofuranosyl-9H-purin-6-ol

> <IUPAC_NAME>
inosine; 9-(beta-D-ribofuranosyl)-9H-purin-6-ol; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol

> <INN>
inosinum; inosine; inosina

> <FORMULA>
C10H12N4O5

> <MASS>
268.22610

> <MONOISOTOPIC_MASS>
268.08077

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12

> <INCHI>
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

> <INCHIKEY>
UGQMRVRMYYASKQ-KQYNXXCUSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
624889

> <CAS_REGISTRY_NUMBER>
58-63-9

> <GMELIN_REGISTRY_NUMBER>
489332

> <REAXYS_REGISTRY_NUMBER>
624889

> <CHEMIDPLUS>
58-63-9

> <ECMDB_ACCESSION>
ECMDB00195

> <KEGG_COMPOUND_ACCESSION>
C00294

> <KEGG_DRUG_ACCESSION>
D00054

> <KNAPSACK_ACCESSION>
C00019692

> <METACYC_ACCESSION>
INOSINE

> <NIST_CHEMISTRY_WEBBOOK>
58-63-9

> <PDBECHEM_ACCESSION>
NOS

> <WIKIPEDIA_ACCESSION>
Inosine

> <YMDB_ACCESSION>
YMDB00510

> <PUBMED_CITATION>
22770225

$$$$