Ketcher 07251616372D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
    0.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5980    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  3  7  1  1     0  0
  4  8  1  1     0  0
  3  5  1  0     0  0
  5  4  1  0     0  0
  5  9  1  6     0  0
  4  6  1  0     0  0
  6  2  1  0     0  0
  6 10  1  6     0  0
  7 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
  7 15  1  0     0  0
 15 16  2  0     0  0
 13 17  1  0     0  0
M  END
> <ID>
CHEBI:132134

> <NAME>
1-(beta-D-xylopyranosyl)cytosine

> <DEFINITION>
An N-glycosyl compound that is cytosine in which the proton at position 1 is replaced by a β-D-xylosyl residue.

> <STAR>
3

> <SYNONYM>
cytosylxylopyranose; 1-(beta-D-xylosyl)cytosine

> <IUPAC_NAME>
4-amino-1-beta-D-xylopyranosylpyrimidin-2(1H)-one

> <FORMULA>
C9H13N3O5

> <MASS>
243.217

> <MONOISOTOPIC_MASS>
243.08552

> <CHARGE>
0

> <SMILES>
O1C[C@H]([C@H](O)[C@H]([C@@H]1N2C=CC(=NC2=O)N)O)O

> <INCHI>
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(13)3-17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m1/s1

> <INCHIKEY>
UGJBVRSUYCCUKX-PXBUCIJWSA-N

> <REAXYS_REGISTRY_NUMBER>
89170

> <METACYC_ACCESSION>
CPD-17176

> <PUBMED_CITATION>
23874663

$$$$