Marvin  02050817042D          

 20 22  0  0  1  0            999 V2000
   -0.7018    0.0000    0.0000 O   0  0  0  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
    0.5678   -0.4125    0.0000 C   0  0  2  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
    0.5678    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2352    0.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2353   -0.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565    2.5320    0.0000 C   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
   -1.9710    2.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854    2.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719    2.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131    2.1196    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
   -3.3999    2.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3998    1.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4718   -1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116   -2.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 19  1  1  0  0  0
  2  3  1  0  0  0  0
  3  7  1  6  0  0  0
  1  4  1  0  0  0  0
  4 16  1  6  0  0  0
  4  5  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
 10  8  2  0  0  0  0
 14  8  1  0  0  0  0
  9  8  1  0  0  0  0
 11  9  2  0  0  0  0
 16  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:10329

> <NAME>
alpha-ribazole

> <STAR>
3

> <SYNONYM>
N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole; alpha-Ribazole; alpha-ribazole

> <IUPAC_NAME>
5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole

> <FORMULA>
C14H18N2O4

> <MASS>
278.30380

> <MONOISOTOPIC_MASS>
278.12666

> <CHARGE>
0

> <SMILES>
Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C

> <INCHI>
InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1

> <INCHIKEY>
HLRUKOJSWOKCPP-SYQHCUMBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
91101

> <CAS_REGISTRY_NUMBER>
132-13-8

> <CHEMIDPLUS>
132-13-8

> <KEGG_COMPOUND_ACCESSION>
C05775

$$$$