ChEBI
  Marvin  05150814222D          

 20 22  0  0  1  0            999 V2000
   12.0583   -2.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583   -3.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7819   -3.5683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5056   -3.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5056   -2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7819   -1.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2896   -2.0606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7721   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3345   -3.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7819   -1.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5032   -4.2144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2896   -3.4175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0182   -4.8819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5031   -5.5493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2896   -6.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8730   -6.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2878   -4.4694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0023   -4.0569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2878   -5.2943    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0023   -5.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
 12  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
 10  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 19 17  1  0  0  0  0
 11 12  1  1  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 17 18  1  6  0  0  0
 19 20  1  6  0  0  0
M  END
> <ID>
CHEBI:18107

> <NAME>
xanthosine

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10066; CHEBI:15323; CHEBI:27327

> <SYNONYM>
xanthosine; Xanthosine; Xanthine riboside; xanthine 9-beta-D-ribofuranoside; 9-beta-D-ribofuranosylxanthine; 9-beta-D-Ribofuranosylxanthine; 9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione

> <IUPAC_NAME>
xanthosine

> <FORMULA>
C10H12N4O6

> <MASS>
284.22564

> <MONOISOTOPIC_MASS>
284.07568

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O

> <INCHI>
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1

> <INCHIKEY>
UBORTCNDUKBEOP-UUOKFMHZSA-N

> <CAS_REGISTRY_NUMBER>
146-80-5

> <REAXYS_REGISTRY_NUMBER>
625906

> <CHEMIDPLUS>
146-80-5

> <KEGG_COMPOUND_ACCESSION>
C01762

> <KNAPSACK_ACCESSION>
C00007222

> <METACYC_ACCESSION>
XANTHOSINE

> <WIKIPEDIA_ACCESSION>
Xanthosine

> <PUBMED_CITATION>
10879466; 19176874; 21071429; 22698263; 22731949; 22770225; 22932763

$$$$